The main research topic is drug design, especially computer-aided molecular design. Indication areas are mainly cancer and anti-microbials.
Research groups
Projects
Publications
229/229 items-
Cathepsin-Targeting SARS-CoV-2 Inhibitors: Design, Synthesis, and Biological Activity
Flury, Philipp; Breidenbach, Julian; Krüger, Nadine; Voget, Rabea; Schäkel, Laura; Si, Yaoyao; Krasniqi, Vesa; Calistri, Sara; Olfert, Matthias; Sylvester, Katharina; Rocha, Cheila; Ditzinger, Raphael; Rasch, Alexander; Pöhlmann, Stefan; Kronenberger, Thales; Poso, Antti; Rox, Katharina; Laufer, Stefan A; Müller, Christa E; Gütschow, Michael; Pillaiyar, Thanigaimalai. 2024. ACS pharmacology & translational science. 7: 493-514 A1 Journal article (refereed), original research -
Cyclophilin A is a ligand for RAGE in thrombo-inflammation
Seizer, Peter; von Ungern-Sternberg, Saskia N I; Haug, Verena; Dicenta, Valerie; Rosa, Annabelle; Butt, Elke; Noethel, Moritz; Rohlfing, Anne-Katrin; Sigle, Manuel; Nawroth, Peter P; Nussbaum, Claudia; Sperandio, Markus; Kusch, Charly; Meub, Mara; Sauer, Markus; Muenzer, Patrick; Bieber, Kristin; Stanger, Anna; Mack, Andreas F; Huber, Rene; Brand, Korbinian; Lehners, Moritz; Feil, Robert; Poso, Antti; Krutzke, Konstantin; Schaeffer, Tilman E; Nieswandt, Bernhard; Borst, Oliver; May, Andreas E; Z. 2024. Cardiovascular research. 120: 385-402 A1 Journal article (refereed), original research -
Development of Selective Pyrido[2,3-d]pyrimidin-7(8H)-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors
Rak, Marcel; Menge, Amelie; Tesch, Roberta; Berger, Lena M; Balourdas, Dimitrios-Ilias; Shevchenko, Ekaterina; Kramer, Andreas; Elson, Lewis; Berger, Benedict-Tilman; Abdi, Ismahan; Wahl, Laurenz M; Poso, Antti; Kaiser, Astrid; Hanke, Thomas; Kronenberger, Thales; Joerger, Andreas C; Muller, Susanne; Knapp, Stefan. 2024. Journal of medicinal chemistry. 67: 3813-3842 A1 Journal article (refereed), original research -
Discovery and optimization of narrow spectrum inhibitors of Tousled like kinase 2 (TLK2) using quantitative structure activity relationships
Asquith, Christopher R M; East, Michael P; Laitinen, Tuomo; Alamillo-Ferrer, Carla; Hartikainen, Erkka; Wells, Carrow I; Axtman, Alison D; Drewry, David H; Tizzard, Graham J; Poso, Antti; Willson, Timothy M; Johnson, Gary L. 2024. European journal of medicinal chemistry. 271: A1 Journal article (refereed), original research -
Drug repurposing platform for deciphering the druggable SARS-CoV-2 interactome
Bogacheva, Mariia S; Kuivanen, Suvi; Potdar, Swapnil; Hassinen, Antti; Huuskonen, Sini; Pöhner, Ina; Luck, Tamara J; Turunen, Laura; Feodoroff, Michaela; Szirovicza, Leonora; Savijoki, Kirsi; Saarela, Jani; Tammela, Päivi; Paavolainen, Lassi; Poso, Antti; Varjosalo, Markku; Kallioniemi, Olli; Pietiäinen, Vilja; Vapalahti, Olli. 2024. Antiviral research. 223: A1 Journal article (refereed), original research -
Filling the Blank Space: Branched 4-Nonylphenol Isomers Are Responsible for Robust Constitutive Androstane Receptor (CAR) Activation by Nonylphenol
Rashidian, Azam; Dusek, Jan; Drastik, Martin; Smutna, Lucie; Fritsche, Kristin; Braeuning, Albert; Pijnenburg, Dirk; van Beuningen, Rinie; Honkakoski, Paavo; Poso, Antti; Kronenberger, Thales; Pavek, Petr. 2024. Environmental science and technology. 58: 6913-6923 A1 Journal article (refereed), original research -
First-in-class MKK4 inhibitors enhance liver regeneration and prevent liver failure
Zwirner, Stefan; Abu Rmilah, Anan A; Klotz, Sabrina; Pfaffenroth, Bent; Kloevekorn, Philip; Moschopoulou, Athina A; Schuette, Svenja; Haag, Mathias; Selig, Roland; Li, Kewei; Zhou, Wei; Nelson, Erek; Poso, Antti; Chen, Harvey; Amiot, Bruce; Jia, Yao; Minshew, Anna; Michalak, Gregory; Cui, Wei; Rist, Elke; Longerich, Thomas; Jung, Birgit; Felgendreff, Philipp; Trompak, Omelyan; Premsrirut, Prem K; Gries, Katharina; Muerdter, Thomas E; Heinkele, Georg; Wuestefeld, Torsten; Shapiro, David; Weissbac. 2024. Cell. 187: 1666–1684 A1 Journal article (refereed), original research -
Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors
Wittlinger, Florian; Ogboo, Blessing C; Shevchenko, Ekaterina; Damghani, Tahereh; Pham, Calvin D; Schaeffner, Ilse K; Oligny, Brandon T; Chitnis, Surbhi P; Beyett, Tyler S; Rasch, Alexander; Buckley, Brian; Urul, Daniel A; Shaurova, Tatiana; May, Earl W; Schaefer, Erik M; Eck, Michael J; Hershberger, Pamela A; Poso, Antti; Laufer, Stefan A; Heppner, David E. 2024. Communications chemistry. 7: . 38 A1 Journal article (refereed), original research -
Lääkkeen vaikutuskohteen tietokonemalleista apua yksilöidyn syöpälääkkeen valintaan
Bartos, Piia; Kuittinen, Outi; Poso, Antti. 2024. Duodecim. 140: 1703-9 A2 Review article, Literature review, Systematic review -
Targeting Cyclophilin A in the Cardiac Microenvironment Preserves Heart Function and Structure in Failing Hearts
Sigle, Manuel; Rohlfing, Anne-Katrin; Cruz Santos, Melanie; Kopp, Timo; Krutzke, Konstantin; Gidlund, Vincent; Kollotzek, Ferdinand; Marzi, Julia; von Ungern-Sternberg, Saskia; Poso, Antti; Heikenwälder, Mathias; Schenke-Layland, Katja; Seizer, Peter; Möllmann, Julia; Marx, Nikolaus; Feil, Robert; Feil, Susanne; Lukowski, Robert; Borst, Oliver; Schäffer, Tilman E.; Müller, Karin Anne Lydia; Gawaz, Meinrad P; Heinzmann, David. 2024. Circulation research. 135: 758-773 A1 Journal article (refereed), original research -
The molecular interaction pattern of lenvatinib enables inhibition of wild-type or kinase-mutated FGFR2-driven cholangiocarcinoma
Spahn, Stephan; Kleinhenz, Fabian; Shevchenko, Ekaterina; Stahl, Aaron; Rasen, Yvonne; Geisler, Christine; Ruhm, Kristina; Klaumuenzer, Marion; Kronenberger, Thales; Laufer, Stefan A; Sundberg-Malek, Holly; Bui, Khac Cuong; Horger, Marius; Biskup, Saskia; Schulze-Osthoff, Klaus; Templin, Markus; Malek, Nisar P; Poso, Antti; Bitzer, Michael. 2024. Nature communications. 15: . 1287 A1 Journal article (refereed), original research -
1,3-Diphenylureido hydroxamate as a promising scaffold for generation of potent antimalarial histone deacetylase inhibitors
Tavares, Maurício T; Krüger, Arne; Yan, Sun L Rei; Waitman, Karoline B; Gomes, Vinícius M; de Oliveira, Daffiny Sumam; Paz, Franciarli; Hilscher, Sebastian; Schutkowski, Mike; Sippl, Wolfgang; Ruiz, Claudia; Toledo, Mônica F Z J; Hassimotto, Neuza M A; Machado-Neto, João A; Poso, Antti; Cameron, Michael D; Bannister, Thomas D; Palmisano, Giuseppe; Wrenger, Carsten; Kronenberger, Thales; Parise-Filho, Roberto. 2023. Scientific reports. 13: . 21006 A1 Journal article (refereed), original research -
Characterization of Potent ABCG2 Inhibitor Derived from Chromone: From the Mechanism of Inhibition to Human Extracellular Vesicles for Drug Delivery
Valdameri, Glaucio; Kita, Diogo Henrique; Dutra, Julia de Paula; Gomes, Diego Lima; Tonduru, Arun Kumar; Kronenberger, Thales; Gavinho, Bruno; Rossi, Izadora Volpato; Carvalho, Mariana Mazetto de; Pérès, Basile; Zattoni, Ingrid Fatima; Rego, Fabiane Gomes de Moraes; Picheth, Geraldo; Freitas, Rilton Alves de; Poso, Antti; Ambudkar, Suresh V.; Ramirez, Marcel I.; Boumendjel, Ahcène; Moure, Vivian Rotuno. 2023. Pharmaceutics. 15: A1 Journal article (refereed), original research -
Design and Optimization of Novel Benzimidazole- and Imidazo[4,5-b]pyridine-Based ATM Kinase Inhibitors with Subnanomolar Activities
Dimitrov, Teodor; Moschopoulou, Athina Anastasia; Seidel, Lennart; Kronenberger, Thales; Kudolo, Mark; Poso, Antti; Geibel, Christian; Wölffing, Pascal; Dauch, Daniel; Zender, Lars; Schollmeyer, Dieter; Bajorath, Jürgen; Forster, Michael; Laufer, Stefan. 2023. Journal of medicinal chemistry. 66: 7304-7330 A1 Journal article (refereed), original research -
Development of Ligands for the Super Conserved Orphan G Protein-Coupled Receptor GPR27 with Improved Efficacy and Potency
Pillaiyar, Thanigaimalai; Wozniak, Monika; Abboud, Dayana; Rasch, Alexander; Liebing, Aenne-Dorothea; Poso, Antti; Kronenberger, Thales; Stäubert, Claudia; Laufer, Stefan A; Hanson, Julien. 2023. Journal of medicinal chemistry. 66: 17118-17137 A1 Journal article (refereed), original research -
Direct pathway cloning and expression of the radiosumin biosynthetic gene cluster
Ouyang, Xiaodan; D'Agostino, Paul M; Wahlsten, Matti; Delbaje, Endrews; Jokela, Jouni; Permi, Perttu; Gaiani, Greta; Poso, Antti; Bartos, Piia; Gulder, Tobias AM; Koistinen, Hannu; Fewer, David P. 2023. Organic and biomolecular chemistry. 21: 4893-4908 A1 Journal article (refereed), original research -
Farmaseuttinen kemia
Jarho, Pekka; Lahtela-Kakkonen, Maija; Vepsäläinen, Jouko; Rautio, Jarkko; Huttunen, Kristiina; Poso, Antti; Auriola, Seppo. 2023. Publications of the University of Eastern Finland. General series. 44: 32-35 E1 Popularised article, newspaper article -
Machine Learning-Boosted Docking Enables the Efficient Structure-Based Virtual Screening of Giga-Scale Enumerated Chemical Libraries
Sivula, Toni; Yetukuri, Laxman; Kalliokoski, Tuomo; Käsnänen, Heikki; Poso, Antti; Pöhner, Ina. 2023. Journal of chemical information and modeling. 63: 5773-5783 A1 Journal article (refereed), original research -
Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily
Rak, Marcel; Tesch, Roberta; Berger, Lena M; Shevchenko, Ekaterina; Raab, Monika; Tjaden, Amelie; Zhubi, Rezart; Balourdas, Dimitrios-Ilias; Joerger, Andreas C; Poso, Antti; Krämer, Andreas; Elson, Lewis; Lučić, Aleksandar; Kronenberger, Thales; Hanke, Thomas; Strebhardt, Klaus; Sanhaji, Mourad; Knapp, Stefan. 2023. European journal of medicinal chemistry. 254: A1 Journal article (refereed), original research -
Sodium-Dependent Neutral Amino Acid Transporter 2 Can Serve as a Tertiary Carrier for l -Type Amino Acid Transporter 1-Utilizing Prodrugs
Huttunen, Johanna; Kronenberger, Thales; Montaser, Ahmed B.; Králová, Adéla; Terasaki, Tetsuya; Poso, Antti; Huttunen, Kristiina M.. 2023. Molecular pharmaceutics. 20: 1331-1346 A1 Journal article (refereed), original research -
Structural and molecular characterization of lopinavir and ivermectin as breast cancer resistance protein (BCRP/ABCG2) inhibitors
Dutra, Julia de Paula; Scheiffer, Gustavo; Kronenberger, Thales; Gomes, Lucas Julian Cruz; Zanzarini, Isadora; dos Santos, Kelly Karoline; Tonduru, Arun K.; Poso, Antti; Rego, Fabiane Gomes de Moraes; Picheth, Geraldo; Valdameri, Glaucio; Moure, Vivian Rotuno. 2023. Excli journal. 22: 1155-1172 A1 Journal article (refereed), original research -
Structure-based discovery of thiosemicarbazones as SARS-CoV-2 main protease inhibitors
Maltarollo, Vinicius Goncalves; da Silva, Elany Barbosa; Kronenberger, Thales; Andrade, Marina Mol Sena; Marques, Gabriel V. de Lima; Oliveira, Nereu J. Candido; Santos, Lucianna H.; Rezende Junior, Celso de Oliveira; Martinho, Ana C. Cassiano; Skinner, Danielle; Fajtova, Pavla; Fernandes, Thais H.; dos Santos, Eduardo da Silveira; Gazolla, Poliana A. Rodrigues; de Souza, Ana P. Martins; da Silva, Milene Lopes; dos Santos, Fabiola S.; Lavorato, Stefania N.; Bretas, Ana C. Oliveira; Carvalho, Dio. 2023. Future medicinal chemistry. 15: 959-985 B1 Non-refereed journal articles -
Targeting Glial Cells by Organic Anion-Transporting Polypeptide 1C1 (OATP1C1)-Utilizing l-Thyroxine-Derived Prodrugs
Tonduru, Arun Kumar; Maljaei, Seyed Hamed; Adla, Santosh Kumar; Anamea, Landry; Tampio, Janne; Králová, Adéla; Jalkanen, Aaro J; Espada, Catarina; Santos, Inês Falcato; Montaser, Ahmed B; Rautio, Jarkko; Kronenberger, Thales; Poso, Antti; Huttunen, Kristiina M. 2023. Journal of medicinal chemistry. 66: 15094-15114 A1 Journal article (refereed), original research -
Trypanosoma cruzi Sirtuin 2 as a Relevant Druggable Target: New Inhibitors Developed by Computer-Aided Drug Design
Ferreira, Glaucio Monteiro; Kronenberger, Thales; Maltarollo, Vinicius Gonçalves; Poso, Antti; de Moura Gatti, Fernando; Almeida, Vitor Medeiros; Marana, Sandro Roberto; Lopes, Carla Duque; Tezuka, Daiane Yukie; de Albuquerque, Sérgio; da Silva Emery, Flavio; Trossini, Gustavo Henrique Goulart. 2023. Pharmaceuticals. 16: A1 Journal article (refereed), original research -
Virtual Screening Assisted Search for Inhibitors of the Translocated Intimin Receptor of Enteropathogenic Escherichia Coli
Pylkkö, Tuomas; Tomašič, Tihomir; Poso, Antti; Tammela, Päivi. 2023. Chembiochem. 2024; 25: . e202300638 A1 Journal article (refereed), original research -
Amide-functionalized 1,2,4-Triazol-5-amines as Covalent Inhibitors of Blood Coagulation Factor XIIa and Thrombin
Imberg, Lukas; Platte, Simon; Erbacher, Catharina; Daniliuc, Constantin G.; Kalinina, Svetlana A.; Dörner, Wolfgang; Poso, Antti; Karst, Uwe; Kalinin, Dmitrii V.. 2022. ACS pharmacology & translational science. 5: 1318-1347 A1 Journal article (refereed), original research -
Comparative Modelling of Organic Anion Transporting Polypeptides: Structural Insights and Comparison of Binding Modes
Tonduru, Arun Kumar; Adla, Santosh Kumar; Huttunen, Kristiina M.; Kronenberger, Thales; Poso, Antti. 2022. Molecules. 27: A1 Journal article (refereed), original research -
Discovery and Development of First-in-Class ACKR3/CXCR7 Superagonists for Platelet Degranulation Modulation
Bayrak, Alp; Mohr, Florian; Kolb, Kyra; Szpakowska, Martyna; Shevchenko, Ekaterina; Dicenta, Valerie; Rohlfing, Anne-Katrin; Kudolo, Mark; Pantsar, Tatu; Günther, Marcel; Kaczor, Agnieszka A.; Poso, Antti; Chevigné, Andy; Pillaiyar, Thanigaimalai; Gawaz, Meinrad; Laufer, Stefan A.. 2022. Journal of medicinal chemistry. 65: 13365–13384 A1 Journal article (refereed), original research -
Do Go Chasing Waterfalls: Enoyl Reductase (FabI) in Complex with Inhibitors Stabilizes the Tetrameric Structure and Opens Water Channels
Maltarollo, Vinicius Gonçalves; Shevchenko, Ekaterina; Lima, Igor Daniel de Miranda; Cino, Elio A; Ferreira, Glaucio Monteiro; Poso, Antti; Kronenberger, Thales. 2022. Journal of chemical information and modeling. 66: 5746-5761 A1 Journal article (refereed), original research -
Effects of PCSK9 missense variants on molecular conformation and biological activity in transfected HEK293FT cells
Los, Bruna; Monteiro Ferreira, Glaucio; Bassani Borges, Jéssica; Kronenberger, Thales; Fernandes de Oliveira, Victor; Dagli-Hernandez, Carolina; Hernandes Bortolin, Raul; Marques Gonçalves, Rodrigo; Arpad Faludi, Andre; Akira Mori, Augusto; Kristini Almendros Barbosa, Thais; Caroline Costa de Freitas, Renata; Elim Jannes, Cinthia; da Costa Pereira, Alexandre; Medeiros Bastos, Gisele; Poso, Antti; Dominguez Crespo Hirata, Rosario; Hiroyuki Hirata, Mario. 2022. Gene. 2023; 851: A1 Journal article (refereed), original research -
Funnel metadynamics and behavioral studies reveal complex effect of D2AAK1 ligand on anxiety-like processes
Bartuzi, Damian; Kędzierska, Ewa; Targowska-Duda, Katarzyna M.; Koszła, Oliwia; Wróbel, Tomasz M.; Jademyr, Simon; Karcz, Tadeusz; Szczepańska, Katarzyna; Stępnicki, Piotr; Wronikowska-Denysiuk, Olga; Biała, Grażyna; Handzlik, Jadwiga; Kristensen, Jesper L.; Poso, Antti; Kaczor, Agnieszka A.. 2022. Scientific reports. 12: . 21192 A1 Journal article (refereed), original research -
Inhibitor induced conformational changes in SARS-COV-2 papain-like protease
Ferreira, Glaucio Monteiro; Pillaiyar, Thanigaimalai; Hirata, Mario Hiroyuki; Poso, Antti; Kronenberger, Thales. 2022. Scientific reports. 12: . 11585 A1 Journal article (refereed), original research -
Small-Molecule Thioesters as SARS-CoV-2 Main Protease Inhibitors: Enzyme Inhibition, Structure–Activity Relationships, Antiviral Activity, and X-ray Structure Determination
Pillaiyar, Thanigaimalai; Flury, Philipp; Krüger, Nadine; Su, Haixia; Schäkel, Laura; Barbosa Da Silva, Elany; Eppler, Olga; Kronenberger, Thales; Nie, Tianqing; Luedtke, Stephanie; Rocha, Cheila; Sylvester, Katharina; Petry, Marvin RI; McKerrow, James H; Poso, Antti; Pöhlmann, Stefan; Gütschow, Michael; O’Donoghue, Anthony J; Xu, Yechun; Müller, Christa E; Laufer, Stefan A. 2022. Journal of medicinal chemistry. 65: 9376-9395 A1 Journal article (refereed), original research -
Structural Features Affecting the Interactions and Transportability of LAT1-Targeted Phenylalanine Drug Conjugates
Bahrami, Katayun; Järvinen, Juulia; Laitinen, Tuomo; Reinisalo, Mika; Honkakoski, Paavo; Poso, Antti; Huttunen, Kristiina M.; Rautio, Jarkko. 2022. Molecular pharmaceutics. 2023; 20: 206-218 A1 Journal article (refereed), original research -
Structure of POPC Lipid Bilayers in OPLS3e Force Field
Kurki, Milla; Poso, Antti; Bartos, Piia; Miettinen, Markus S. 2022. Journal of chemical information and modeling. 62: 6462–6474 A1 Journal article (refereed), original research -
Structure-Based Identification of Naphthoquinones and Derivatives as Novel Inhibitors of Main Protease Mpro and Papain-like Protease PLpro of SARS-CoV-2
Santos, Lucianna H.; Kronenberger, Thales; Almeida, Renata G.; Silva, Elany B.; Rocha, Rafael E. O.; Oliveira, Joyce C.; Barreto, Luiza V.; Skinner, Danielle; Fajtová, Pavla; Giardini, Miriam A.; Woodworth, Brendon; Bardine, Conner; Lourenço, André L.; Craik, Charles S.; Poso, Antti; Podust, Larissa M.; McKerrow, James H.; Siqueira-Neto, Jair L.; O’Donoghue, Anthony J.; da Silva Júnior, Eufrânio N.; Ferreira, Rafaela S.. 2022. Journal of chemical information and modeling. 62: 6553-6573 A1 Journal article (refereed), original research -
Synthesis and evaluation of 1,2,3-dithiazole inhibitors of the nucleocapsid protein of feline immunodeficiency virus (FIV) as a model for HIV infection
Laitinen, Tuomo; Meili, Theres; Koyioni, Maria; Koutentis, Panayiotis A; Poso, Antti; Hofmann-Lehmann, Regina; Asquith, Christopher RM. 2022. Bioorganic and medicinal chemistry. 68: A1 Journal article (refereed), original research -
The Use of Lymphocyte Stimulation Test in Severe Nabumetone-Induced Stevens-Johnson Syndrome: A Case Report
Harvima, Rauno J; Harvima, Ilkka T; Poso, Antti; Rysä , Jaana; Ojala, Raimo . 2022. Journal of clinical case reports. 12: A1 Journal article (refereed), original research -
WaterMap‐Guided Structure‐Based Virtual Screening for Acetylcholinesterase Inhibitors
Targowska‐Duda, Katarzyna M.; Maj, Maciej; Drączkowski, Piotr; Budzyńska, Barbara; Boguszewska‐Czubara, Anna; Wróbel, Tomasz M.; Laitinen, Tuomo; Kaczmar, Patrycja; Poso, Antti; Kaczor, Agnieszka A.. 2022. Chemmedchem. 17: . e202100721 A1 Journal article (refereed), original research -
When the two become one: conformational changes in FXR/RXR heterodimers bound to steroidal antagonists
Díaz-Holguín, Alejandro; Rashidian, Azam; Pijnenburg, Dirk; Ferreira, Glaucio Monteiro; Stefela, Alzbeta; Kaspar, Miroslav; Kudova, Eva; Poso, Antti; van Beuningen, Rinie; Pavek, Petr; Kronenberger, Thales. 2022. Chemmedchem. 2023; 18: A1 Journal article (refereed), original research -
A new porphyrin as selective substrate-based inhibitor of breast cancer resistance protein (BCRP/ABCG2)
Zattoni, Ingrid Fatima; Kronenberger, Thales; Kita, Diogo Henrique; Guanaes, Lais Danciguer; Guimarães, Matheus Murmel; de Oliveira Prado, Larissa; Ziasch, Melanie; Vesga, Luis C.; Gomes de Moraes Rego, Fabiane; Picheth, Geraldo; Gonçalves, Marcos Brown; Noseda, Miguel D.; Ducatti, Diogo R.B.; Poso, Antti; Robey, Robert W.; Ambudkar, Suresh V.; Moure, Vivian Rotuno; Gonçalves, Alan Guilherme; Valdameri, Glaucio. 2021. Chemico-biological interactions. 351: 109718 A1 Journal article (refereed), original research -
Docking-Based 3D-QSAR Studies for 1,3,4-oxadiazol-2-one Derivatives as FAAH Inhibitors
Zieba, Agata; Laitinen, Tuomo; Patel, Jayendra Z.; Poso, Antti; Kaczor, Agnieszka A.. 2021. International journal of molecular sciences. 22: 6108 A1 Journal article (refereed), original research -
In vitro identification and in vivo confirmation of inhibitors for SPCSV RNA silencing suppressor, a viral RNase III
Wang, Linping; Poque, Sylvain; Laamanen, Karoliina; Saarela, Jani; Poso, Antti; Laitinen, Tuomo; Valkonen, Jari PT. 2021. Journal of virology. 95: e00107-21 A1 Journal article (refereed), original research -
Inhibition of prolyl oligopeptidase: A promising pathway to prevent the progression of age-related macular degeneration
Hellinen, Laura; Koskela, Ali; Vattulainen, Elina; Liukkonen, Mikko; Wegler, Christine; Treyer, Andrea; Handin, Niklas; Svensson, Richard; Myöhänen, Timo; Poso, Antti; Kaarniranta, Kai; Artursson, Per; Urtti, Arto. 2021. Biomedicine and pharmacotherapy. 2022; 146: 112501 A1 Journal article (refereed), original research -
LXRα activation and Raf inhibition trigger lethal lipotoxicity in liver cancer
Rudalska, Ramona; Harbig, Jule; Snaebjornsson, Marteinn T; Klotz, Sabrina; Zwirner, Stefan; Taranets, Liudmyla; Heinzmann, Florian; Kronenberger, Thales; Forster, Michael; Cui, Wei; D'Artista, Luana; Einig, Elias; Hinterleitner, Martina; Schmitz, Werner; Dylawerska, Agata; Kang, Tae-Won; Poso, Antti; Rosenfeldt, Mathias T; Malek, Nisar P; Bitzer, Michael; et al.. 2021. Nature cancer. 2: 201-217 A1 Journal article (refereed), original research -
Ligand Accessibility Insights to the Dengue virus NS3-NS2B Protease Assessed by long-timescale Molecular Dynamics Simulations
Kronenberger, Thales; Sa Magalhaes Serafim, Mateus; Kumar Tonduru, Arun; Goncalves Maltarollo, Vinicius; Poso, Antti. 2021. Chemmedchem. 16: 2524-2534 A1 Journal article (refereed), original research -
Molecular characteristics supporting L-Type amino acid transporter 1 (LAT1)-mediated translocation
Kärkkäinen, Jussi; Laitinen, Tuomo; Markowicz-Piasecka, Magdalena; Montaser, Ahmed; Lehtonen, Marko; Rautio, Jarkko; Gynther, Mikko; Poso, Antti; Huttunen, Kristiina M. 2021. Bioorganic chemistry. 112: 104921 A1 Journal article (refereed), original research -
Neurosteroids: Structure-Uptake Relationships and Computational Modeling of Organic Anion Transporting Polypeptides (OATP)1A2
Adla, Santosh Kumar; Tonduru, Arun Kumar; Kronenberger, Thales; Kudova, Eva; Poso, Antti; Huttunen, Kristiina M.. 2021. Molecules. 26: 5662 A1 Journal article (refereed), original research -
Potent Inhibitor of Human Trypsins from the Aeruginosin Family of Natural Products
Ahmed, Muhammad N.; Wahlsten, Matti; Jokela, Jouni; Nees, Matthias; Stenman, Ulf-Håkan; Alvarenga, Danillo O.; Strandin, Tomas; Sivonen, Kaarina; Poso, Antti; Permi, Perttu; Metsä-Ketelä, Mikko; Koistinen, Hannu; Fewer, David P.. 2021. Acs chemical biology. 16: 2537-2546 A1 Journal article (refereed), original research -
SARS-COV-2 Mpro conformational changes induced by covalently bound ligands
Ferreira, Glaucio Monteiro; Kronenberger, Thales; Tonduru, Arun Kumar; Hirata, Rosario Dominguez, Crespo; Hirata, Mario Hiroyuki; Poso, Antti. 2021. Journal of biomolecular structure and dynamics. Published online: 13 Sep 2021: 1 - 11 A1 Journal article (refereed), original research -
SARS-CoV-2--host proteome interactions for antiviral drug discovery
Liu, Xiaonan; Huuskonen, Sini; Laitinen, Tuomo; Redchuk, Taras; Bogacheva, Mariia; Salokas, Kari; Pöhner, Ina; Öhman, Tiina; Tonduru, Arun Kumar; Hassinen, Antti; Gawriyski, Lisa; Keskitalo, Salla; Vartiainen, Maria K.; Pietiäinen, Vilja; Poso, Antti; Varjosalo, Markku. 2021. Molecular systems biology. 17: e10396 A1 Journal article (refereed), original research -
Structural Characterization of LsrK as a Quorum Sensing Target and a Comparison between X-ray and Homology Models
Medarametla, Prasanthi; Kronenberger, Thales; Laitinen, Tuomo; Poso, Antti. 2021. Journal of chemical information and modeling. 61: 1346-1353 A1 Journal article (refereed), original research -
Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors
Tesch, R; Rak, M; Raab, M; Berger, LM; Kronenberger, T; Joerger, AC; Berger, BT; Abdi, I; Hanke, T; Poso, A; Strebhardt, K; Sanhaji, M; Knapp, S. 2021. Journal of medicinal chemistry. 64: 8142-8160 A1 Journal article (refereed), original research -
Targeting extracellular and juxtamembrane FGFR2 mutations in chemotherapy-refractory cholangiocarcinoma
Bitzer, Michael; Spahn, Stephan; Babaei, Sepideh; Horger, Marius; Singer, Stephan; Schulze-Osthoff, Klaus; Missios, Pavlos; Gatidis, Sergios; Nann, Dominik Mattern, Sven; Scheble, Veit; Nikolaou, Konstantin; Armeanu-Ebinger, Sorin; Schulze, Martin; Schroeder, Christopher; Biskup, Saskia; Beha, Janina; Claassen, Manfred; Ruhm, Kristina; Poso, Antti et al. 2021. npj precision oncology. 5: 80 A1 Journal article (refereed), original research -
Tetrahydroquinoline/4,5-Dihydroisoxazole Molecular Hybrids as Inhibitors of Breast Cancer Resistance Protein (BCRP/ABCG2)
Vesga, Luis C; Kronenberger, Thales; Tonduru, Arun Kumar; Kita, Diogo Henrique; Zattoni, Ingrid Fatima; Bernal, Cristian Camilo; Bohorquez, Arnold R Romero; Mendez-Sanchez, Stelia Carolina; Ambudkar, Suresh V; Valdameri, Glaucio; Poso, Antti. 2021. Chemmedchem. 16: 2686-2694 A1 Journal article (refereed), original research -
The Future of Medicinal Chemistry, PROTAC, and Undruggable Drug Targets
Poso, Antti. 2021. Journal of medicinal chemistry. 64: 10680-10681 B1 Non-refereed journal articles -
Virus structure and structure-based antivirals
Plavec, Zlatka; Pöhner, Ina; Poso, Antti; Butcher, Sarah J. 2021. Current opinion in virology. 51: 16-24 A2 Review article, Literature review, Systematic review -
Acylated 1 H-1,2,4-Triazol-5-amines Targeting Human Coagulation Factor XIIa and Thrombin: Conventional and Microscale Synthesis, Anticoagulant Properties, and Mechanism of Action
Korff, Marvin; Imberg, Lukas; Will, Jonas M; Bückreiß, Nico; Kalinina, Svetlana A; Wenzel, Benjamin M; Kastner, Gregor A; Daniliuc, Constantin G; Barth, Maximilian; Ovsepyan, Ruzanna A; Butov, Kirill R; Humpf, Hans-Ulrich; Lehr, Matthias; Panteleev, Mikhail A; Poso, Antti; Karst, Uwe; Steinmetzer, Torsten; Bendas, Gerd; Kalinin, Dmitrii V. 2020. Journal of medicinal chemistry. 63: 13159-13186 A1 Journal article (refereed), original research -
Antimicrobial and Antifungal Activity of Rare Substituted 1,2,3-Thiaselenazoles and Corresponding Matched Pair 1,2,3-Dithiazoles
Laitinen, Tuomo; Baranovsky, Ilia V; Konstantinova, Lidia S; Poso, Antti; Rakitin, Oleg A; Asquith, Christopher RM. 2020. Antibiotics. 9: E369 A1 Journal article (refereed), original research -
Deep Learning in Drug Target Interaction Prediction: Current and Future Perspective
Abbasi, Karim; Razzaghi, Parvin; Poso, Antti; Ghanbari-Ara, Saber; Masoudi-Nejad, Ali. 2020. Current medicinal chemistry. 27: 1-14 A2 Review article, Literature review, Systematic review -
DeepCDA: Deep Cross-Domain Compound-Protein Affinity Prediction through LSTM and Convolutional Neural Networks
Abbasi, Karim; Razzaghi, Parvin; Poso, Antti; Amanlou, Massoud; Ghasemi, Jahan B; Masoudi-Nejad, Ali. 2020. Bioinformatics. 36: 4633-4642 A1 Journal article (refereed), original research -
Design, Synthesis and Biological Activity of Novel Substituted 3-benzoic Acid Derivatives as MtDHFR Inhibitors
Kronenberger, Thales; Ferreira, Glaucio Monteiro; de Souza, Alfredo Danilo Ferreira; da Silva Santos, Soraya; Poso, Antti; Ribeiro, João Augusto; Tavares, Maurício Temotheo; Pavan, Fernando Rogério; Trossini, Gustavo Henrique Goulart; Dias, Marcio Vinícius Bertacine; Parise-Filho, Roberto. 2020. Bioorganic and medicinal chemistry. 28: 115600 A1 Journal article (refereed), original research -
Evaluation of FASN inhibitors by a versatile toolkit reveals differences in pharmacology between human and rodent FASN preparations and in antiproliferative efficacy in vitro vs. in situ in human cancer cells
Singha, Prosanta; Mäklin, Kiira; Vihavainen, Taina; Laitinen, Tuomo; Nevalainen, Tapio; Patil, Mahadeo; Tonduru, Arun; Poso, Antti; Laitinen, Jarmo; Savinainen, Juha. 2020. European journal of pharmaceutical sciences. 149: 105321 A1 Journal article (refereed), original research -
Molecular Modeling of Protein Kinases: Current Status and Challenges
Poso, Antti. Teoksessa: Laufer, Stefan(toim.) , 2020. Proteinkinase Inhibitors. s. 25-41. Springer B2 Book section -
Targeting the water network in cyclin G associated kinase (GAK) with 4-anilino-quin(az)oline inhibitors
Asquith, Christopher Robert Michael; Tizzard, Graham J; Bennett, James M; Wells, Carrow I; Elkins, Jonathan M; Willson, Timothy M; Poso, Antti; Laitinen, Tuomo. 2020. Chemmedchem. 15: 1200-1215 A1 Journal article (refereed), original research -
The application of machine learning techniques to innovative antibacterial discovery and development
Serafim, Mateus Sá Magalhães; Kronenberger, Thales; Oliveira, Patrícia Rufino; Poso, Antti; Honório, Káthia Maria; Mota, Bruno Eduardo Fernandes; Maltarollo, Vinícius Gonçalves. 2020. Expert opinion on drug discovery. 15: 1165-1180 A2 Review article, Literature review, Systematic review -
The autoinhibited state of MKK4: Phosphorylation, putative dimerization and R134W mutant studied by molecular dynamics simulations
Shevchenko, Ekaterina; Poso, Antti; Pantsar, Tatu. 2020. Computational and Structural Biotechnology Journal. 18: 2687-2698 A1 Journal article (refereed), original research -
Transcription and Translation Inhibitors in Cancer Treatment
Laham-Karam, Nihay; Pinto, Gaspar; Poso, Antti; Kokkonen, Piia. 2020. Frontiers in chemistry. 8: 276 A2 Review article, Literature review, Systematic review -
DPD-Inspired Discovery of Novel LsrK Kinase Inhibitors: An Opportunity To Fight Antimicrobial Resistance
Stotani, Silvia; Gatta, Viviana; Medarametla, Prasanthi; Padmanaban, Mohan; Karawajczyk, Anna; Giordanetto, Fabrizio; Tammela, Päivi; Laitinen, Tuomo; Poso, Antti; Tzalis, Dimitros; Collina, Simona. 2019. Journal of medicinal chemistry. 62: 2720-2737 A1 Journal article (refereed), original research -
Deep Transferable Compound Representation across Domains and Tasks for Low Data Drug Discovery
Abbasi, Karim; Poso, Antti; Ghasemi, Jahanbakhsh; Amanlou, Massoud; Masoudi-Nejad, Ali. 2019. Journal of chemical information and modeling. 59: 4528-4539 A1 Journal article (refereed), original research -
Design and analysis of the 4-anilino-quin(az)oline kinase inhibition profiles of GAK/SLK/STK10 using quantitative structure activity relationships
Asquith, CRM; Laitinen, T; Bennett, JM; Wells, CI; Elkins, JM; Zuercher, WJ; Tizzard, G; Poso, A. 2019. Chemmedchem. 2020; 15: 26-49 A1 Journal article (refereed), original research -
Exploring the chemical space for freeze-drying excipients
Meng-Lund, Helena; Holm, Tobias Palle; Poso, Antti; Jorgensen, Lene; Rantanen, Jukka; Grohganz, Holger. 2019. International journal of pharmaceutics. 566: 254-263 A1 Journal article (refereed), original research -
In vitro and in silico evaluation of bikaverin as a potent inhibitor of human protein kinase CK2
Haidar, Samer; Aichele, Dagmar; Birus, Robin; Hielscher, Janine; Laitinen, Tuomo; Poso, Antti; Jose, Joachim. 2019. Molecules. 24: 1380 A1 Journal article (refereed), original research -
Investigation of the pentathiepin functionality as an inhibitor of Feline Immunodeficiency Virus (FIV) via a potential zinc ejection mechanism, as a model for HIV infection
Asquith, CRM; Laitinen, T; Konstantinova, LS; Tizzard, G; Poso, A; Rakitin, OA; Hofmann-Lehmann, R; Hilton, ST. 2019. Chemmedchem. 14: 454-461 A1 Journal article (refereed), original research -
Ligand- and Structure-Based Approaches of Escherichia coli FabI Inhibition by Triclosan Derivatives: From Chemical Similarity to Protein Dynamics Influence
Kronenberger, Thales; de Oliveira Fernades, Philipe; Drumond Franco, Isabella; Poso, Antti; Gonçalves Maltarollo, Vinícius. 2019. Chemmedchem. 14: 1995-2004 A1 Journal article (refereed), original research -
Pyridinylimidazoles as dual glycogen synthase kinase 3β/p38α mitogen-activated protein kinase inhibitors
Heider, Fabian; Ansideri, Francesco; Tesch, Roberta; Pantsar, Tatu; Haun, Urs; Döring, Eva; Kudolo, Mark; Poso, Antti; Albrecht, Wolfgang; Laufer, Stefan A; Koch, Pierre. 2019. European journal of medicinal chemistry. 175: 309-329 A1 Journal article (refereed), original research -
The Universal 3D QSAR Model for Dopamine D2 Receptor Antagonists
Zieba, A; Zuk, J; Bartuzi, D; Matosiuk, D; Poso, A; Kaczor, AA. 2019. International journal of molecular sciences. 20: 4555 A1 Journal article (refereed), original research -
The inner rod of virulence-associated type III secretion systems constitutes a needle adapter of one helical turn that is deeply integrated into the system's export apparatus.
Torres-Vargas, CE; Kronenberger, T; Roos, N; Dietsche, T; Poso, A; Wagner, S. 2019. Molecular microbiology. 112: 918-931 A1 Journal article (refereed), original research -
Assessment of mutation probabilities of KRAS G12 missense mutants and their long-timescale dynamics by atomistic molecular simulations and Markov state modeling
Pantsar, Tatu; Rissanen, Sami; Dauch, Daniel; Laitinen, Tuomo; Vattulainen, Ilpo; Poso, Antti. 2018. PLoS computational biology. 14: e1006458 A1 Journal article (refereed), original research -
Binding Affinity via Docking: Fact and Fiction
Pantsar, Tatu; Poso, Antti. 2018. Molecules. 23: 1899 A1 Journal article (refereed), original research -
Molecular Modelling Approaches to Antibacterial Drug Design and Discovery
Kaczor, Agnieszka A; Medarametla, Prasanthi; Bartuzi, Damian; Kondej, Magdalena; Matosiuk, Dariusz; Poso, Antti. Teoksessa: Rahman, Atta-ur; Choudhary, Iqbal M(toim.) , 2018. Frontiers in Anti-Infective Drug Discovery. s. 153-222. Bentham science publishers B2 Book section -
Structure-based virtual screening of LsrK kinase inhibitors to target quorum sensing
Medarametla, Prasanthi; Gatta, Viviana; Kajander, Tommi; Laitinen, Tuomo; Tammela, Päivi; Poso Antti. 2018. Chemmedchem. 13: 2400-2407 A1 Journal article (refereed), original research -
The use of molecular descriptors in the development of co-amorphous formulations
Meng-Lund, Helena; Kasten, Georgia; Jensen, Katrina Tarp; Poso, Antti; Pantsar, Tatu; Rades, Thomas; Rantanen, Jukka; Grohganz, Holger. 2018. European journal of pharmaceutical sciences. 119: 31-38 A1 Journal article (refereed), original research -
Whole grain intake associated molecule 5-aminovaleric acid betaine decreases ß-oxidation of fatty acids in mouse cardiomyocytes
Kärkkäinen, Olli; Tuomainen, Tomi; Koistinen, Ville; Tuomainen, Marjo; Leppänen, Jukka; Laitinen, Tuomo; Lehtonen, Marko; Rysä, Jaana; Auriola, Seppo; Poso, Antti; Tavi, Pasi; Hanhineva, Kati. 2018. Scientific reports. 8: 13036 A1 Journal article (refereed), original research -
Correlation between calculated molecular descriptors of excipient amino acids and experimentally observed thermal stability of lysozyme
Meng-Lund Helena, Friis Natascha, van de Weert Marco, Rantanen Jukka, Poso Antti, Grohganz Holger, Jorgensen Lene. 2017. International journal of pharmaceutics. 523: 238-245 A1 Journal article (refereed), original research -
Design, Synthesis, and Biological Evaluation of 2,4-Dihydropyrano[2,3-c]pyrazole Derivatives as Autotaxin Inhibitors
Pantsar T, Singha P, Nevalainen TJ, Koshevoy I, Leppänen J, Poso A, Niskanen JMA, Pasonen-Seppänen S, Savinainen JR, Laitinen T, Laitinen JT. 2017. European journal of pharmaceutical sciences. 107: 97-111 A1 Journal article (refereed), original research -
Development of Pharmacophore Model for Indeno[1,2-b]indoles as Human Protein Kinase CK2 Inhibitors and Database Mining
Haidar Samer, Bouaziz Zouhair, Marminon Christelle, Laitinen Tuomo, Poso Antti, Le Borgne Marc, Jose Joachim. 2017. Pharmaceuticals. 10: 8 A1 Journal article (refereed), original research -
Discovery of Small Molecules Targeting the Synergy of Cardiac Transcription Factors GATA4 and NKX2-5
Välimäki Mika J, Tölli Maria A, Kinnunen Sini M, Aro Jani, Serpi Raisa, Pohjolainen Lotta, Talman Virpi, Poso Antti, Ruskoaho Heikki J. 2017. Journal of medicinal chemistry. 60: 7781-7798 A1 Journal article (refereed), original research -
Structural and Functional Characterization of Malate Synthase G from Opportunistic Pathogen Pseudomonas aeruginosa
McVey Alyssa C, Medarametla Prasanthi, Chee Xavier, Bartlett Sean, Poso Antti, Spring David R, Rahman Taufiq, Welch Martin. 2017. Biochemistry. 56: 5539-5549 A1 Journal article (refereed), original research -
Structural review of PPAR gamma in complex with ligands: Cartesian-and dihedral angle principal component analyses of X-ray crystallographic data
Kaupang Asmund, Laitinen Tuomo, Poso Antti, Hansen Trond Vidar. 2017. Proteins: structure function and bioinformatics. 85: 1684-1698 A2 Review article, Literature review, Systematic review -
Surface area, volume and shape descriptors as a novel tool for polymer lead design and discovery
Christensen JR, Meng-Lund H, Grohganz H, Poso A, Laitinen T, Korhonen O, Jørgensen L, Pajander J. 2017. European journal of pharmaceutical sciences. 102: 188-195 A1 Journal article (refereed), original research -
Virtual Screening of Transmembrane Serine Protease Inhibitors
Poso Antti, Tervonen Topi, Klefström Juha. 2017. Bio-protocol. 7: 1-10 A1 Journal article (refereed), original research -
A MYC-aurora kinase A protein complex represents an actionable drug target in p53-altered liver cancer
Dauch Daniel, Rudalska Ramona, Cossa Giacomo, Nault Jean-Charles, Kang Tae-Won, Wuestefeld Torsten, Hohmeyer Anja, Imbeaud Sandrine, Yevsa Tetyana, Hoenicke Lisa, Pantsar Tatu, Bozko Przemyslaw, Malek Nisar P, Longerich Thomas, Laufer Stefan, Poso Antti, Zucman-Rossi Jessica, Eilers Martin, Zender Lars. 2016. Nature medicine. 22: 744-753 A1 Journal article (refereed), original research -
Common and Distinct Interactions of Chemical Inhibitors with Cytochrome P450 CYP1A2, CYP2A6 and CYP2B6 Enzymes
Raunio Hannu, Juvonen Risto O, Poso Antti, Lahtela-Kakkonen Maija, Rahnasto-Rilla Minna. 2016. Drug metabolism letters. 10: 56-64 A1 Journal article (refereed), original research -
Evaluation of Substituted 1,2,3-Dithiazoles as Inhibitors of the Feline Immunodeficiency Virus (FIV) Nucleocapsid Protein via a Proposed Zinc Ejection Mechanism
Asquith Christopher R, Konstantinova Lidia S, Laitinen Tuomo, Meli Marina L, Poso Antti, Rakitin Oleg A, Hofmann-Lehmann Regina, Hilton Stephen T. 2016. Chemmedchem. 11: 2119-2126 A1 Journal article (refereed), original research -
Structure-Based Virtual Screening for Dopamine D2 Receptor Ligands as Potential Antipsychotics
Kaczor Agnieszka A, Silva Andrea G, Loza Maria I, Kolb Peter, Castro Marián, Poso Antti. 2016. Chemmedchem. 11: 718-729 A1 Journal article (refereed), original research -
The Effects of Sequence Variation on Genome-wide NRF2 Binding - New Target Genes and Regulatory SNPs
Kuosmanen Suvi M, Viitala Sari, Laitinen Tuomo, Peräkylä Mikael, Pölönen Petri, Kansanen Emilia, Leinonen Hanna, Raju Suresh, Wienecke-Baldacchino Anke, Närvänen Ale, Poso Antti, Heinäniemi Merja, Heikkinen Sami, Levonen Anna-Liisa. 2016. Nucleic acids research. 44: 1760-1775 A1 Journal article (refereed), original research -
Virtual Screening of Small Drug-Like Compounds Stimulating the Enzymatic Activity of Kallikrein-Related Peptidase3 (KLK3)
Ylikangas Henna, Mattsson Johanna M, Stenman Ulf-Håkan, Koistinen Hannu, Poso Antti, Lahtela-Kakkonen Maija. 2016. Chemmedchem. 11: 2043-2049 A1 Journal article (refereed), original research -
Comparative molecular field analysis and molecular dynamics studies of alpha/beta hydrolase domain containing 6 (ABHD6) inhibitors
Kaczor Agnieszka A, Targowska-Duda Katarzyna M, Patel Jayendra Z, Laitinen Tuomo, Parkkari Teija, Adams Yahaya, Nevalainen Tapio J, Poso Antti. 2015. Journal of molecular modeling. 21:250: . A1 Journal article (refereed), original research -
Deregulated hepsin protease activity confers oncogenicity by concomitantly augmenting HGF/MET signalling and disrupting epithelial cohesion
Tervonen TA, Belit¨kin D, Pant SM, Englund JI, Marques E, Ala-Hongisto H, Nevalaita L, Sihto H, Heikkilä P, Leidenius M, Hewitson K, Ramachandra M, Moilanen A, Joensuu H, Kovanen PE, Poso A, Klefström J. 2015. Oncogene. 35 (2016): 1832-1846 A1 Journal article (refereed), original research -
Multi-Component Protein - Protein Docking Based Protocol with External Scoring for Modeling Dimers of G Protein-Coupled Receptors
Kaczor Agnieszka A, Guixà-González Ramon, Carrió Pau, Poso Antti, Dove Stefan, Pastor Manuel, Selent Jana. 2015. Molecular informatics. 34: 246-255 A1 Journal article (refereed), original research -
New, Non-quinone Fluorogeldanamycin Derivatives Strongly Inhibit Hsp90
Hermane Jekaterina, Bulyszko Ilona, Eichner Simone, Sasse Florenz, Collisi Wera, Poso Antti, Schax Emilia, Walter Johanna-Gabriela, Scheper Thomas, Kock Klaus, Herrmann Christian, Aliuos Pooyan, Reuter Günter, Zeilinger Carsten, Kirschning Andreas. 2015. Chembiochem. 16: 302-311 A1 Journal article (refereed), original research -
Potent and selective N-(4-sulfamoylphenyl)thiourea-based GPR55 agonists
Yrjölä Sari, Parkkari Teija, Navia-Paldanius Dina, Laitinen Tuomo, Kaczor Agnieszka A, Kokkola Tarja, Adusei-Mensah Frank, Savinainen Juha R, Laitinen Jarmo T, Poso Antti, Alexander Amy, Penman June, Stott Lisa, Anskat Marie, Irving Andrew J, Nevalainen Tapio J. 2015. European journal of medicinal chemistry. 107 (2016): 119-132 A1 Journal article (refereed), original research -
Prediction of human population responses to toxic compounds by a collaborative competition
Eduati Federica, Mangravite Lara M, Wang Tao, Tang Hao, Bare J Christopher, Huang Ruili, Norman Thea, Kellen Mike,. 2015. Nature biotechnology. 33: 933-943 A1 Journal article (refereed), original research -
Time-dependent inhibition of CYP2C19 by isoquinoline alkaloids: in vitro and in silico analysis
Salminen Kaisa A, Rahnasto-Rilla Minna, Vaananen Raija, Imming Peter, Meyer Achim, Horling Aline, Poso Antti, Laitinen Tuomo, Raunio Hannu, Lahtela-Kakkonen Maija. 2015. Drug metabolism and disposition. 43: 1891-1904 A1 Journal article (refereed), original research -
Virtual screening approach of sirtuin inhibitors results in two new scaffolds
Kokkonen Piia, Kokkola Tarja, Suuronen Tiina, Poso Antti, Jarho Elina, Lahtela-Kakkonen Maija. 2015. European journal of pharmaceutical sciences. 76: 27-32 A1 Journal article (refereed), original research -
Centmitor-1, a Novel Acridinyl-Acetohydrazide, Possesses Similar Molecular Interaction Field and Antimitotic Cellular Phenotype as Rigosertib, ON 01910.Na
Mäki-Jouppila Jenni H, Laine Leena J, Rehnberg Jonathan, Narvi Elli, Tiikkainen Pekka, Hukasova Elvira, Halonen Pasi, Lindqvist Arne, Kallio Lila, Poso Antti, Kallio Marko J. 2014. Molecular cancer therapeutics. 13: 1054-1066 A1 Journal article (refereed), original research -
Evaluation of the antiviral efficacy of bis[1,2]dithiolo[1,4]thiazines and bis[1,2]dithiolopyrrole derivatives against the nucelocapsid protein of the Feline Immunodeficiency Virus (FIV) as a model for HIV infection
Asquith Christopher R, Meli Marina L, Konstantinova Lidia S, Laitinen Tuomo, Peräkylä Mikael, Poso Antti, Rakitin Oleg A, Allenspach Karin, Hofmann-Lehmann Regina, Hilton Stephen T. 2014. Bioorganic and medicinal chemistry letters. 24: 2640-2644 A1 Journal article (refereed), original research -
Identification of structural features in chemicals associated with cancer drug response: a systematic data-driven analysis
Khan Suleiman A, Virtanen Seppo, Kallioniemi Olli P, Wennerberg Krister, Poso Antti, Kaski Samuel. 2014. Bioinformatics. 30: i497-i504 A1 Journal article (refereed), original research -
In Vitro Screening of Some Heterocyclic Compounds Against Human ABHD6 and ABHD12 Hydrolases
Kaczor Agnieszka A, Poso Antti, Pitucha Monika. 2014. Letters in drug design and discovery. 11: 944-952 A1 Journal article (refereed), original research -
Integrative and Personalized QSAR Analysis in Cancer by Kernelized Bayesian Matrix Factorization
Ammad-ud-din Muhammad, Georgii Elisabeth, Gönen Mehmet, Laitinen Tuomo, Kallioniemi Olli, Wennerberg Krister, Poso Antti, Kaski Samuel. 2014. Journal of chemical information and modeling. 54: 2347-2359 A1 Journal article (refereed), original research -
Investigation of novel ropinirole analogues: synthesis, pharmacological evaluation and computational analysis of dopamine D2 receptor functionalized congeners and homobivalent ligands
Jörg Manuela, Kaczor Agnieszka A, Mak Frankie S, Lee Kiew Ching K, Poso Antti, Miller Neil D, Scammells Peter J, Capuano Ben. 2014. Medchemcomm. 5: 891-898 A1 Journal article (refereed), original research -
Novel fused tetrathiocines as antivirals that target the nucleocapsid zinc finger containing protein of the Feline Immunodeficiency Virus (FIV) as a model of HIV infection
Asquith Christopher R, Meli Marina L, Konstantinova Lidia S, Laitinen Tuomo, Poso Antti, Rakitin Oleg A, Hofmann-Lehmann Regina, Allenspach Karin, Hilton Stephen T. 2014. Bioorganic and medicinal chemistry letters. 2015; 25: 1352-1355 A1 Journal article (refereed), original research -
Pharmacological and molecular studies on the interaction of varenicline with different nicotinic acetylcholine receptor subtypes. Potential mechanism underlying partial agonism at human alpha4ß2 and alpha3ß4 subtypes
Arias Hugo R, Feuerbach Dominik, Targowska-Duda Katarzyna, Kaczor Agnieszka A, Poso Antti, Jozwiak Krzysztof. 2014. Biochimica et biophysica acta: biomembranes. 2015; 1848: 731-741 A1 Journal article (refereed), original research -
Quantitative Insight into the Design of Compounds Recognized by the L-Type Amino Acid Transporter 1 (LAT1)
Ylikangas Henna, Malmioja Kalle, Peura Lauri, Gynther Mikko, Nwachukwu Emmanuel O, Leppänen Jukka, Laine Krista, Rautio Jarkko, Lahtela-Kakkonen Maija, Huttunen Kristiina M, Poso Antti. 2014. Chemmedchem. 9: 2699-2707 A1 Journal article (refereed), original research -
Quantitative insights for the design of substrate-based SIRT1 inhibitors
Kokkonen Piia, Mellini Paolo, Nyrhilä Olli, Rahnasto-Rilla Minna, Suuronen Tiina, Kiviranta Päivi, Huhtiniemi Tero, Poso Antti, Jarho Elina, Lahtela-Kakkonen Maija. 2014. European journal of pharmaceutical sciences. 59: 12-19 A1 Journal article (refereed), original research -
Robust hydrolysis of prostaglandin glycerol esters by human monoacylglycerol lipase (MAGL)
Savinainen Juha R, Kansanen Emilia, Pantsar Tatu, Navia-Paldanius Dina, Parkkari Teija, Lehtonen Marko, Laitinen Tuomo, Nevalainen Tapio, Poso Antti, Levonen Anna-Liisa, Laitinen Jarmo T. 2014. Molecular pharmacology. Epub ahead of print: - A1 Journal article (refereed), original research -
Synthesis, in vitro and in vivo evaluation of 1,3,5-triazines as cannabinoid CB2 receptor agonists
Yrjölä Sari, Sarparanta Mirkka, Airaksinen Anu J, Hytti Maria, Kauppinen Anu, Pasonen-Seppänen Sanna, Adinolfi Barbara, Nieri Paola, Manera Clementina, Keinänen Outi, Poso Antti, Nevalainen Tapio J, Parkkari Teija. 2014. European journal of pharmaceutical sciences. 2015; 67: 85-96 A1 Journal article (refereed), original research -
Synthesis, in vitro and in vivo studies, and molecular modeling of N-alkylated dextromethorphan derivatives as non-competitive inhibitors of alpha3beta4 nicotinic acetylcholine receptor
Jozwiak Krzysztof, Targowska-Duda Katarzyna M, Kaczor Agnieszka A, Kozak Joanna, Ligeza Agnieszka, Szacon Elzbieta, Wrobel Tomasz M, Budzynska Barbara, Biala Grazyna, Fornal Emilia, Poso Antti, Wainer Irving W, Matosiuk Dariusz. 2014. Bioorganic and medicinal chemistry. 22: 6846-6856 A1 Journal article (refereed), original research -
Uusia yhdisteitä maksasyöpään
Poso Antti, Laitinen Tuomo, Zender Lars, Kalesse Markus, Laufer Stefan. 2014. Dosis. 30: 205 B1 Non-refereed journal articles -
1,3,4-Oxadiazol-2-ones as fatty-acid amide hydrolase and monoacylglycerol lipase inhibitors: Synthesis, in vitro evaluation and insight into potency and selectivity determinants by molecular modelling
Käsnänen Heikki, Minkkilä Anna, Taupila Susanna, Patel Jayendra Z, Parkkari Teija, Lahtela-Kakkonen Maija, Saario Susanna M, Nevalainen Tapio, Poso Antti. 2013. European journal of pharmaceutical sciences. 49: 423-433 A1 Journal article (refereed), original research -
Chiral 1,3,4-oxadiazol-2-ones as highly selective FAAH inhibitors
Patel Jayendra Z, Parkkari Teija, Laitinen Tuomo, Kaczor Agnieszka A, Saario Susanna M, Savinainen Juha R, Navia-Paldanius Dina, Cipriano Mariateresa, Leppänen Jukka, Koshevoy Igor O, Poso Antti, Fowler Christopher J, Laitinen Jarmo T, Nevalainen Tapio. 2013. Journal of medicinal chemistry. 56: 8484-8496 A1 Journal article (refereed), original research -
Experimental and computational studies on the tautomerism of N-substituted 3-amino-5-oxo-4-phenyl-1H-pyrazolo-1-carboxamides with antibacterial activity
Kaczor Agnieszka A, Wróbel Tomasz, Karczmarzyk Zbigniew, Wysocki Waldemar, Mendyk Ewaryst, Poso Antti, Matosiuk Dariusz, Pitucha Monika. 2013. Journal of molecular structure. 1051: 188-196 A1 Journal article (refereed), original research -
Farmaseuttinen kemia - uudet haasteet Itä-Suomen yliopistossa
Nevalainen Tapio, Poso Antti, Rautio Jarkko. Teoksessa: Ahonen R, Laitinen K, Lapinjoki S, Mensalo P, Ranta V-P, Ylikangas H (toim).(toim.) , 2013. Muutosten vuosikymmen : Itä-Suomen yliopiston farmasian laitos 40 vuotta. s. 34-42. D2 Article in a professional book (incl. an introduction by the editor) -
Identification of novel SIRT3 inhibitor scaffolds by virtual screening
Salo Heikki S, Laitinen Tuomo, Poso Antti, Jarho Elina, Lahtela-Kakkonen Maija. 2013. Bioorganic and medicinal chemistry letters. 23: 2990-2995 A1 Journal article (refereed), original research -
Mutation of Cys242 of human monoacylglycerol lipase disrupts balanced hydrolysis of 1- and 2-monoacylglycerols and selectively impairs inhibitor potency
Laitinen Tuomo, Navia-Paldanius Dina, Rytilahti Roosa, Marjamaa Joona J, Karizkova Julie, Parkkari Teija, Pantsar Tatu, Poso Antti, Laitinen Jarmo T, Savinainen Juha R. 2013. Molecular pharmacology. 2014:85: 510-519 A1 Journal article (refereed), original research -
Piperazine and piperidine triazole ureas as ultrapotent and highly selective inhibitors of monoacylglycerol lipase
Aaltonen Niina, Savinainen Juha R, Ribas Casandra R, Rönkkö Jani, Kuusisto Anne, Korhonen Jani, Navia-Paldanius Dina, Häyrinen Jukka, Takabe Piia, Käsnänen Heikki, Pantsar Tatu, Laitinen Tuomo, Lehtonen Marko, Pasonen-Seppänen Sanna, Poso Antti, Nevalainen Tapio, Laitinen Jarmo T. 2013. Chemistry and biology. 20: 379-390 A1 Journal article (refereed), original research -
Structural studies, homology modeling and molecular docking of novel noncompetitive antagonists of GluK1/GluK2 receptors
Kaczor Agnieszka A, Karczmarzyk Zbigniew, Fruziński Andrzej, Pihlaja Kalevi, Sinkkonen Jari, Wiinamäki Kirsti, Kronbach Christiane, Unverferth Klaus, Poso Antti, Matosiuk Dariusz. 2013. Bioorganic and medicinal chemistry. 2014:22: 787-795 A1 Journal article (refereed), original research -
Structure-based molecular modeling approaches to GPCR oligomerization
Kaczor Agnieszka A, Selent Jana, Poso Antti. Teoksessa: P. Michael Conn(toim.) , 2013. Receptor-Receptor Interactions. s. 91-104. Academic Press B2 Book section -
Synthesis and biological evaluation of arylthiourea derivatives with antitubercular activity
Luo Rusong, Laitinen Tuomo, Teng Liyan, Nevalainen Tapio, Lahtela-Kakkonen Maija, Zheng Baofu, Wang Honghai, Poso Antti, Zhang Xuelian. 2013. Letters in drug design and discovery. 10: 640-650 A1 Journal article (refereed), original research -
Comprehensive data-driven analysis of the impact of chemoinformatic structure on the genome-wide biological response profiles of cancer cells to 1159 drugs
Khan Suleiman A, Faisal Ali, Mpindi John P, Parkkinen Juuso A, Kalliokoski Tuomo, Poso Antti, Kallioniemi Olli P, Wennerberg Krister, Kaski Samuel. 2012. Bmc bioinformatics. 13: 112 A1 Journal article (refereed), original research -
Discovery of novel cannabinoid receptor ligands by a virtual screening approach: Further development of 2,4,6-trisubstituted 1,3,5-triazines as CB2 agonists
Yrjölä Sari, Kalliokoski Tuomo, Laitinen Tuomo, Poso Antti, Parkkari Teija, Nevalainen Tapio. 2012. European journal of pharmaceutical sciences. 2013:48: 9-20 A1 Journal article (refereed), original research -
Discovery of salermide-related sirtuin inhibitors: binding mode studies and antiproliferative effects in cancer cells including cancer stem cells
Rotili Dante, Tarantino Domenico, Nebbioso Angela, Paolini Chantal, Huidobro Covadonga, Lara Ester, Mellini Paolo, Lenoci Alessia, Pezzi Riccardo, Giorgia Botta, Lahtela-Kakkonen Maija, Poso Antti, Steinkuhler Christian, Gallinari Paola, De Maria Ruggero, Fraga Mario F, Esteller Manel, Altucci Lucia, Mai Antonello. 2012. Journal of medicinal chemistry. 55: 10937-10947 A1 Journal article (refereed), original research -
From Cyclic Peptides to Drug-Like Compounds Stimulating Kallikrein-Related Peptidase 3 (KLK3)
Ylikangas Henna, Mattsson Johanna M, Koistinen Hannu, Poso Antti, Lahtela-Kakkonen Maija. 2012. Dosis -
Molecular dynamics simulations for human CAR inverse agonists
Jyrkkärinne Johanna, Küblbeck Jenni, Pulkkinen Juha, Honkakoski Paavo, Laatikainen Reino, Poso Antti, Laitinen Tuomo. 2012. Journal of chemical information and modeling. 52: 457-464 A1 Journal article (refereed), original research -
Peptides and Pseudopeptides as SIRT6 Inhibitors
Piia Kokkonen, Minna Rahnasto-Rilla, Päivi Kiviranta, Tero Huhtiniemi, Tuomo Laitinen, Antti Poso, Elina Jarho, Maija Lahtela-Kakkonen. 2012. -
Peptides and pseudopeptides as SIRT6 deacetylation inhibitors
Kokkonen Piia, Rahnasto-Rilla Minna, Kiviranta Päivi H, Huhtiniemi Tero, Laitinen Tuomo, Poso Antti, Jarho Elina, Lahtela-Kakkonen Maija. 2012. Acs medicinal chemistry letters. 3: 969-974 A1 Journal article (refereed), original research -
Structure-activity relationship study of compounds binding to large amino acid transporter 1 (LAT1) based on pharmacophore modeling and in situ rat brain perfusion
Ylikangas Henna, Peura Lauri, Malmioja Kalle, Leppänen Jukka, Laine Krista, Poso Antti, Lahtela-Kakkonen Maija, Rautio Jarkko. 2012. European journal of pharmaceutical sciences. 2013:48: 523-531 A1 Journal article (refereed), original research -
Constitutive activity and ligand-dependent activation of the nuclear reseptor CAR - insights from molecular dynamics simulations
Windshügel Björn, Poso Antti. 2011. Journal of molecular recognition. 24: 875-882 A1 Journal article (refereed), original research -
Identification of novel CYP2A6 inhibitors by virtual screening
Rahnasto Minna K, Raunio Hannu A, Wittekindt Carsten, Salminen Kaisa A, Leppänen Jukka, Juvonen Risto O, Poso Antti, Lahtela-Kakkonen Maija K. 2011. Bioorganic and medicinal chemistry. 19: 7186-7193 A1 Journal article (refereed), original research -
New in vitro tools to study human constitutive androstane receptor (CAR) biology: discovery and comparison of human CAR inverse agonists
Küblbeck Jenni, Jyrkkärinne Johanna, Molnár Ferdinand, Kuningas Tiina, Patel Jayendra, Windshügel Björn, Nevalainen Tapio, Laitinen Tuomo, Sippl Wolfgang, Poso Antti, Honkakoski Paavo. 2011. Molecular pharmaceutics. 8: 2424-2433 A1 Journal article (refereed), original research -
Structure-based design of pseudopeptidic inhibitors for SIRT1 and SIRT2
Huhtiniemi Tero, Salo Heikki S, Suuronen Tiina, Poso Antti, Salminen Antero, Leppänen Jukka, Jarho Elina, Lahtela-Kakkonen Maija. 2011. Journal of medicinal chemistry. 54: 6456-6468 A1 Journal article (refereed), original research -
Studying the catechol binding cavity in comparative models of human dopamine D2 receptor
Sakhteman Amirhossein, Lahtela-Kakkonen Maija, Poso Antti. 2011. Journal of molecular graphics and modelling. 29: 685-692 A1 Journal article (refereed), original research -
The discovery of compounds that stimulate the activity of kallikrein-related peptidase 3 (KLK3)
Härkönen Henna H, Mattsson Johanna M, Määttä Juha AE, Stenman Ulf-Håkan, Koistinen Hannu, Matero Sanni, Windshügel Björn, Poso Antti, Lahtela-Kakkonen Maija. 2011. Chemmedchem. 6: 2170-2178 A1 Journal article (refereed), original research -
3-heterocycle-phenyl N-alkylcarbamates as FAAH inhibitors: desing, synthesis and 3D-QSAR studies
Käsnänen H, Myllymäki MJ, Minkkilä A, Kataja AO, Saario SM, Nevalainen T, Koskinen AMP & Poso A. 2010. Chemmedchem. 5: 213 - 231 A1 Journal article (refereed), original research -
ChemInform Abstract: The effect of ligand-based tautomer and protomer prediction on structure-based virtual screening
Kalliokoski T, Salo HS, Lahtela-Kakkonen M & Poso A. 2010. CHEMINFORM. 13: DOI: 10.1002/chin.201013212 E1 Popularised article, newspaper article -
Estimation of granule size distribution for batch fluidized bed granulation process using acoustic emission and N-way PLS
Matero S, Poutiainen S, Leskinen J, Järvinen K, Ketolainen J, Poso A & Reinikainen S-P. 2010. Journal of chemometrics. 24: 464-471 A1 Journal article (refereed), original research -
Increasing the throughput of shape-based virtual screening with GPU processing and single conformation database
Kalliokoski T, Ronkko TP, Poso A. 2010. Molecular informatics. 29: 293 - 296 A1 Journal article (refereed), original research -
N(epsilon)-modified lysine containing inhibitors for SIRT1 and SIRT2
Huhtiniemi T, Suuronen T, Lahtela-Kakkonen M, Bruijn T, Jääskeläinen S, Poso A, Salminen A, Leppänen J & Jarho E. 2010. Bioorganic and medicinal chemistry. 18: 5616-5625 A1 Journal article (refereed), original research -
Chiral 3-(4,5-dihydrooxazol-2-yl)phenyl alkylcarbamates as novel FAAH inhibitors: Insight into FAAH enantioselectivity by molecular docking and interaction fields
Myllymäki MJ, Käsnänen H, Kataja AO, Lahtela-Kakkonen M, Saario SM, Poso A, Koskinen AMP. 2009. European journal of medicinal chemistry. 44: 4179-4191 A1 Journal article (refereed), original research -
Comparison of structure fingerprint and molecular interaction field based methods in explaining biological simularity of small molecules in cell-based screens
Tiikkainen P, Poso A, Kallioniemi O. 2009. Journal of computer-aided molecular design. 23: 227-239 A1 Journal article (refereed), original research -
Critical comparison of virtual screening methods against the MUV data set
Tiikkainen P, Markt P, Wolber G, Kirchmair J, Distinto S, Poso A, Kallioniemi O. 2009. Journal of chemical information and modeling. 49: 2168-2178 A1 Journal article (refereed), original research -
Monitoring the wetting phase of fluidized bed granulation process using multi-way methods: The separation of successful from unsuccessful batches
Matero S, Poutiainen S, Leskinen J, Reinikainen S-P, Ketolainen J, Järvinen K, Poso A. 2009. Chemometrics and intelligent laboratory systems. 96: 88-93 A1 Journal article (refereed), original research -
N(epsilon)-Thioacetyl-lysine-containing tri-, tetra-, and pentapeptides as SIRT1 and SIRT2 inhibitors
Kiviranta PH, Suuronen T, Wallén EAA, Leppänen J, Tervonen J, Kyrylenko S, Salminen A, Poso A, Jarho EM. 2009. Journal of medicinal chemistry. 52: 2153-2156 A1 Journal article (refereed), original research -
Screening of various hormone-sensitive lipase inhibitors as endocannabinoid-hydrolyzing enzyme inhibitors
Minkkilä A, Savinainen JR, Käsnänen H, Xhaard H, Nevalainen T, Laitinen JT, Poso A, Leppänen J, Saario SM. 2009. Chemmedchem. 4: 1253-1259 A1 Journal article (refereed), original research -
The effect of ligand-based tautomer and protomer prediction on structure-based virtual screening
Kalliokoski T, Salo HS, Lahtela-Kakkonen M, Poso A. 2009. Journal of chemical information and modeling. 49: 2742-2748 A1 Journal article (refereed), original research -
The feasibility of using acoustic emissions for monitoring of fluidized bed granulation
Matero S, Poutiainen S, Leskinen J, Järvinen K, Ketolainen J, Reinikainen S-P, Hakulinen M, Lappalainen R, Poso A. 2009. Chemometrics and intelligent laboratory systems. 97: 75-81 A1 Journal article (refereed), original research -
Uncertainty in dissolution test of drug release
Paakkunainen M, Matero S, Ketolainen J, Lahtela-Kakkonen M, Poso A, Reinikainen S-P. 2009. Chemometrics and intelligent laboratory systems. 97: 82-90 A1 Journal article (refereed), original research -
Characterization of the binding properties of SIRT2 inhibitors with a N-(3-phenylpropenoyl)-glycine tryptamide backbone
Kiviranta PH, Salo HS, Leppänen J, Rinne VM, Kyrylenko S, Kuusisto E, Suuronen T, Salminen A, Poso A, Lahtela-Kakkonen M, Wallén EAA. 2008. Bioorganic and medicinal chemistry. 16: 8054-8062 A1 Journal article (refereed), original research -
Determination of batch-to-batch variation for fluidized bed granulation
Matero S, Poutiainen S, Leskinen J, Hakulinen M, Lahtela-Kakkonen M, Ketolainen J, Lappalainen R, Järvinen K & Poso A. 2008. European journal of pharmaceutical sciences -
Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase
Minkkilä A, Saario SM, Käsnänen H, Leppänen J, Poso A, Nevalainen T. 2008. Journal of medicinal chemistry. 51: 7057-7060 A1 Journal article (refereed), original research -
Discovery of substituted sulfonamides and thiazolidin-4-one derivatives as agonists of human constitutive androstane receptor
Küblbeck J, Jyrkkärinne J, Poso A, Turpeinen M, Sippl W, Honkakoski P, Windshügel B. 2008. Biochemical pharmacology. 76: 1288-1297 A1 Journal article (refereed), original research -
Estimation of drug release profiles of a heterogeneous set of drugs from a hydrophobic matrix tablet using molecular descriptors
Matero S, Reinikainen S-P, Lahtela-Kakkonen M, Korhonen O, Ketolainen J, Poso A. 2008. Journal of chemometrics. 22: 653-660 A1 Journal article (refereed), original research -
FieldChopper, a new tool for automatic model generation and virtual screening based on molecular fields
Kalliokoski T, Rönkkö T, Poso A. 2008. Journal of chemical information and modeling. 48: 1131-1137 A1 Journal article (refereed), original research -
Identification of inhibitors of the nicotine metabolising CYP2A6 enzyme-an in silico approach
Rahnasto M, Wittekindt C, Juvonen RO, Turpeinen M, Petsalo A, Pelkonen O, Poso A, Stahl G, Höltje H-D, Raunio H. 2008. Pharmacogenomics journal. 8: 328-338 A1 Journal article (refereed), original research -
Insights into ligand-elicited activation of human constitutive androstane receptor based on novel agonists and three-dimensional quantitative structure-activity relationship
Jyrkkärinne J, Windshügel B, Rönkkö T, Tervo AJ, Küblbeck J, Lahtela-Kakkonen M, Sippl W, Poso A, Honkakoski P. 2008. Journal of medicinal chemistry. 51: 7181-7192 A1 Journal article (refereed), original research -
Oxadiazole-carbonylaminothioureas as SIRT1 and SIRT2 inhibitors
Huhtiniemi T, Suuronen T, Rinne VM, Wittekindt C, Lahtela-Kakkonen M, Jarho E, Wallén EAA, Salminen A, Poso A, Leppänen J. 2008. Journal of medicinal chemistry. 51: 4377-4380 A1 Journal article (refereed), original research -
Targeting the cannabinoid CB2 receptor: modelling and structural determinants of CB2 selective ligands
Poso A, Huffman JW. 2008. British journal of pharmacology. 153: 335-346 A2 Review article, Literature review, Systematic review -
Ultrasound transmission technique as a potential tool for physical evaluation of monolithic matrix tablets
Hakulinen MA, Pajander J, Leskinen J, Ketolainen J, van Veen B, Niinimäki K, Pirskanen K, Poso A, Lappalainen R. 2008. AAPS PharmSciTech. 9: 267-273 A1 Journal article (refereed), original research -
Comparison of homology models and X-ray structures of the nuclear receptor CAR: Assessing the structural basis of constitutive activity
Windshügel B, Jyrkkärinne J, Vanamo J, Poso A, Honkakoski P, Sippl W. 2007. Journal of molecular graphics and modelling. 25: 644-657 A1 Journal article (refereed), original research -
N-(3-(4-hydroxyphenyl)-propenoyl)-amino acid tryptamides as SIRT2 inhibitors
Kiviranta PH, Leppänen J, Rinne VM, Suuronen T, Kyrylenko O, Kyrylenko S, Kuusisto E, Tervo AJ, Järvinen T, Salminen A, Poso A, Wallén EAA. 2007. Bioorganic and medicinal chemistry letters. 17: 2448-2451 A1 Journal article (refereed), original research -
New potent and selective cytochrome P450 2B6 (CYP2B6) inhibitors based on three-dimensional quantitative structure-activity relationship (3D-QSAR) analysis
Korhonen LE, Turpeinen M, Rahnasto M, Wittekindt C, Poso A, Pelkonen O, Raunio H, Juvonen RO. 2007. British journal of pharmacology. 150: 932-942 A1 Journal article (refereed), original research -
Novel N- Heterocyclic phenyl carbamates as novel FAAH-inhibitors
Mikko Myllymäki, Joel A Castillo-Melendez, Ari Koskinen, Anna Minkkilä, Susanna Saario, Tapio Nevalainen, Tomi Järvinen, Antti Poso, Outi Salo-Ahen. 2007. H1 Granted patent -
Predicting the drug concentration in starch acetate matrix tablets from ATR-FTIR spectra using multi-way methods
Matero S, Pajander J, Soikkeli A-M, Reinikainen S-P, Lahtela-Kakkonen M, Korhonen O, Ketolainen J, Poso A. 2007. Analytica chimica acta. 595: 190-197 A1 Journal article (refereed), original research -
3D-QSAR studies on cannabinoid CB1 receptor agonists: G-protein activation as biological data
Salo OMH, Savinainen JR, Parkkari T, Nevalainen T, Lahtela-Kakkonen M, Gynther J, Laitinen JT, Järvinen T, Poso A. 2006. Journal of medicinal chemistry. 49: 554-566 A1 Journal article (refereed), original research -
BRUTUS: Optimization of a grid-based similarity function for rigid-body molecular superposition. II. Description and characterization
Rönkkö T, Tervo AJ, Parkkinen J, Poso A. 2006. Journal of computer-aided molecular design. 20: 227-236 A1 Journal article (refereed), original research -
Chemical space of orally active compounds
Matero S, Lahtela-Kakkonen M, Korhonen O, Ketolainen J, Lappalainen R, Poso A. 2006. Chemometrics and intelligent laboratory systems. 84: 134-141 A1 Journal article (refereed), original research -
Comparative and pharmacophore model for deacetylase SIRT1
Huhtiniemi T, Wittekindt C, Laitinen T, Leppänen J, Salminen A, Poso A, Lahtela-Kakkonen M. 2006. Journal of computer-aided molecular design. 20: 589-599 A1 Journal article (refereed), original research -
Discovering inhibitors of human sirtuin type 2: novel structural scaffolds
Tervo AJ, Suuronen T, Kyrylenko S, Kuusisto E, Kiviranta PH, Salminen A, Leppänen J, Poso A. 2006. Journal of medicinal chemistry. 49: 7239-7241 A1 Journal article (refereed), original research -
Fatty acid amide hydrolase inhibitors from virtual screening of the endocannabinoid system
Saario SM, Poso A, Juvonen RO, Järvinen T, Salo-Ahen OMH. 2006. Journal of medicinal chemistry. 49: 4650-4656 A1 Journal article (refereed), original research -
Ligand recognition by drug-activated nuclear receptors PXR and CAR: structural, site-directed mutagenesis and molecular modeling studies
Poso A, Honkakoski P. 2006. Mini-reviews in medicinal chemistry. 6: 937-943 A2 Review article, Literature review, Systematic review -
N,N'-bisbenzylidenebenzene-1,4-diamines and N,N'-bisbenzylidenenaphthalene-1,4-diamines as sirtuin type 2 (SIRT2) inhibitors
Kiviranta PH, Leppänen J, Kyrylenko S, Salo HS, Lahtela-Kakkonen M, Tervo AJ, Wittekindt C, Suuronen T, Kuusisto E, Järvinen T, Salminen A, Poso A, Wallén EAA. 2006. Journal of medicinal chemistry. 49: 7907-7911 A1 Journal article (refereed), original research -
Synthesis and CB1receptor activities of dimethylheptyl derivatives of 2-arachidonoyl glycerol (2-AG) and 2-arachidonyl glyceryl ether (2-AGE)
Parkkari T, Salo OMH, Huttunen KM, Savinainen JR, Laitinen JT, Poso A, Nevalainen T, Järvinen T. 2006. Bioorganic and medicinal chemistry. 14: 2850-2858 A1 Journal article (refereed), original research -
Synthesis and SAR studies of 2-oxoquinoline derivatives as CB2 receptor inverse agonists
Raitio KH, Savinainen JR, Vepsäläinen J, Laitinen JT, Poso A, Järvinen T, Nevalainen T. 2006. Journal of medicinal chemistry. 49: 2022-2027 A1 Journal article (refereed), original research -
Amino acids important for ligand specificity of the human constitutive androstane receptor
Jyrkkärinne J, Windshügel B, Mäkinen J, Ylisirniö M, Peräkylä M, Poso A, Sippl W, Honkakoski P. 2005. Journal of biological chemistry. 280: 5960-5971 A1 Journal article (refereed), original research -
BRUTUS: Optimization of a grid-based similarity function for rigid-body molecular superposition. 1. alignment and virtual screening applications
Tervo AJ, Rönkkö T, Nyrönen TH, Poso A. 2005. Journal of medicinal chemistry. 48: 4076-4086 A1 Journal article (refereed), original research -
Characterization of the sulfhydryl-sensitive site in the enzyme responsible for hydrolysis of 2-arachidonoyl-glycerol in rat cerebellar membranes
Saario SM, Salo OMH, Nevalainen T, Poso A, Laitinen JT, Järvinen T, Niemi R. 2005. Chemistry and biology. 12: 649-656 A1 Journal article (refereed), original research -
Dicarboxylic acid azacycle L-prolyl-pyrrolidine amides as prolyl oligopeptidase inhibitors and three-dimensional quantitative structure-activity relationship of the enzyme-inhibitor interactions
Jarho EM, Wallén EAA, Christiaans JAM, Forsberg MM, Venäläinen JI, Männistö PT, Gynther J, Poso A. 2005. Journal of medicinal chemistry. 48: 4772-4782 A1 Journal article (refereed), original research -
Identification of WIN55212-3 as a competitive neutral antagonist of the human cannabinoid CB2 receptor
Savinainen JR, Kokkola T, Salo OMH, Poso A, Järvinen T, Laitinen JT. 2005. British journal of pharmacology. 145: 636-645 A1 Journal article (refereed), original research -
Partial least square projections to latent structures analysis (PLS) in evaluating and predicting drug release from starch acetate matrix tablets
Korhonen O, Matero S, Poso A, Ketolainen J. 2005. Journal of pharmaceutical sciences. 94: 2716-2730 A1 Journal article (refereed), original research -
Prediction of contact angle for pharmaceutical solids from their molecular structure
Suihko E, Forbes RT, Korhonen O, Ketolainen J, Paronen P, Gynther J, Poso A. 2005. Journal of pharmaceutical sciences. 94: 745-758 A1 Journal article (refereed), original research -
Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors
Korhonen LE, Rahnasto M, Mähönen N J, Wittekindt C, Poso A, Juvonen RO, Raunio H. 2005. Journal of medicinal chemistry. 48: 3808-3815 A1 Journal article (refereed), original research -
Quantitative structure - activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme
Rahnasto M, Raunio H, Poso A, Wittekindt C, Juvonen RO. 2005. Journal of medicinal chemistry. 48: 440-449 A1 Journal article (refereed), original research -
Synthesis and characterization of the novel fluorescent prolyl oligopeptidase inhibitor 4-fluoresceinthiocarbamoyl-6-aminocaproyl-L-prolyl-2(S)-(hydroxyacetyl)pyrrolidine
Venäläinen JI, Wallén EAA, Poso A, García-Horsman JA, Männistö PT. 2005. Journal of medicinal chemistry. 48: 7093-7095 A1 Journal article (refereed), original research -
Targeting the cannabinoid CB2 receptor: Mutations, modeling and development of CB2 selective ligands
Raitio KH, Salo OMH, Nevalainen T, Poso A, Järvinen T. 2005. Current medicinal chemistry. 12: 1217-1237 A1 Journal article (refereed), original research -
The effect of powder blend and tablet structure on drug release mechanisms of hydrophobic starch acetate matrix tablets
van Veen B , Pajander J, Zuurman K, Lappalainen R, Poso A, Frijlink HW, Ketolainen J. 2005. European journal of pharmaceutics and biopharmaceutics. 61: 149-157 A1 Journal article (refereed), original research -
The functional role of cysteines adjacent to the NRY motif of the human MT1 melatonin receptor
Kokkola T, Salo OMH, Poso A, Laitinen JT. 2005. Journal of pineal research. 39: 1-11 A1 Journal article (refereed), original research -
Virtual screening of novel CB2 ligands using a comparative model of the human cannabinoid CB2 receptor
Salo OMH, Raitio KH, Savinainen JR, Nevalainen T, Lahtela-Kakkonen M, Laitinen JT, Järvinen T, Poso A. 2005. Journal of medicinal chemistry. 48: 7166-7171 A1 Journal article (refereed), original research -
An in silico approach to discovering novel inhibitors of human sirtuin type 2
Tervo AJ, Kyrylenko S, Niskanen P, Salminen A, Leppänen J, Nyrönen TH, Järvinen T, Poso A. 2004. Journal of medicinal chemistry. 47: 6292-6298 A1 Journal article (refereed), original research -
Comparing the quality and predictiveness between 3D QSAR models obtained from manual and automated alignment
Tervo AJ, Nyrönen TH, Rönkkö T, Poso A. 2004. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (WASHINGTON). 44: 807-816 A1 Journal article (refereed), original research -
Development of a 3D model for the human cannabinoid CB1 receptor
Salo OMH, Lahtela-Kakkonen M, Gynther J, Järvinen T, Poso A. 2004. Journal of medicinal chemistry. 47: 3048-3057 A1 Journal article (refereed), original research -
Drug release from starch-acetate microparticles and films with and without incorporated alfa-amylase
Tuovinen L, Peltonen S, Liikola M, Hotakainen M, Lahtela-Kakkonen M, Poso A, Järvinen K. 2004. Biomaterials. 25: 4355-4362 A1 Journal article (refereed), original research -
Molecular dynamics simulations of the human CAR ligand-binding domain: deciphering the molecular basis for constitutive activity
Windshügel B, Jyrkkärinne J, Poso A, Honkakoski P, Sippl W. 2004. Journal of molecular modeling. : A1 Journal article (refereed), original research -
A structure-activity relationship study of catechol-O-methyltransferase inhibitors combining molecular docking and 3D QSAR methods
Tervo AJ, Nyrönen TH, Rönkkö T, Poso A. 2003. Journal of computer-aided molecular design. 17: 797-810 A1 Journal article (refereed), original research -
Molecular determinants of steroid inhibition for the mouse constitutive androstane receptor
Jyrkkärinne J, Mäkinen J, Gynther J, Savolainen H, Poso A, Honkakoski P. 2003. Journal of medicinal chemistry. 46: 4687-4695 A1 Journal article (refereed), original research -
More potent inhibition of human CYP2A6 than mouse CYP2A5 enzyme activities by derivatives of phenylethylamine and benzaldehyde
Rahnasto M, Raunio H, Poso A, Juvonen RO. 2003. Xenobiotica. 33: 529-539 A1 Journal article (refereed), original research -
Predictive value of comparative molecular field analysis modelling of naphthalene inhibition of human CYP2A6 and mouse CYP2A5 enzymes
Asikainen A, Tarhanen J, Poso A, Pasanen M, Alhava E, Juvonen RO. 2003. Toxicology in vitro. 17: 449-455 A1 Journal article (refereed), original research -
Aggregation and solvation of steroid molecules in different solvents
Päivärinta JT, Poso AT, Hotokka M, Muttonen E. 2002. Crystal growth and design. 2: 121-126 A1 Journal article (refereed), original research -
Substrate-dependent, non-hyperbolic kinetics of pig brain prolyl oligopeptidase and its tight binding inhibition by JTP-4819
Venäläinen JI, Juvonen RO, Forsberg MM, Garcia-Horsman A, Poso A, Wallen EAA, Gynther J, Männistö PT. 2002. Biochemical pharmacology. 64: 463-471 A1 Journal article (refereed), original research -
A comparative molecular field analysis of cytochrome P450 2A5 and 2A6 inhibitors
Poso A, Gynther J, Juvonen R. 2001. Journal of computer-aided molecular design. 15: 195-202 A1 Journal article (refereed), original research -
Predicting plasticization efficiency from three-dimensional molecular structure of a polymer plasticizer
Tarvainen M, Sutinen R, Somppi M, Paronen P, Poso A. 2001. Pharmaceutical research. 18: 1760-1766 A1 Journal article (refereed), original research -
A proton relay process as the mechanism of activation of the histamine H3-receptor determined by 1H NMR and ab initio quantum mechanical calculations
Kovalainen JT, Christiaans JAM, Ropponen R, Poso A, Peräkylä M, Vepsäläinen J, Laatikainen R, Gynther J. 2000. Journal of the American Chemical Society. 122: 6989-6996 A1 Journal article (refereed), original research -
Calculated and measured vibrational frequencies in an alkanoic acid-alkylamine complex
Päivärinta J, Karlsson S, Hotokka M, Poso A. 2000. Chemical physics letters. 327: 420-424 A1 Journal article (refereed), original research -
Deformation behaviors of tolbutamide, hydroxypropyl-beta-cyclodextrin, and their dispersions
Suihko E, Poso A, Korhonen O, Gynther J, Ketolainen J, Paronen P. 2000. Pharmaceutical research. 17: 942-948 A1 Journal article (refereed), original research -
Pronounced differences in inhibition potency of lactone and non-lactone compounds for mouse and human coumarin 7-hydroxylases (CYP2A5 and CYP2A6)
Juvonen RO, Gynther J, Pasanen M, Alhava E, Poso A. 2000. Xenobiotica. 30: 81-92 A1 Journal article (refereed), original research -
1H NMR study on putative intramolecular hydrogen bonding for histamine H3-receptor agonists
Kovalainen JT, Christiaans JAM, Poso A, Vepsäläinen J, Laatikainen R, Gynther J. 1999. Tetrahedron letters. 40: 2425-2428 A1 Journal article (refereed), original research -
Computational elasticity of anhydrous betalactose
Päivärinta J, Poso A, Gynther J, Suihko E, Ketolainen J. Teoksessa: (toim.) , 1997. 16th Pharmaceutical Technology Conference and Exhibition. Vol. 2.. s. 509-522. A4 Conference proceedings -
Dehydration of theophylline monohydrate - a two step process
Suihko E, Ketolainen J, Poso A, Ahlgren M, Gynther J, Paronen P. 1997. International journal of pharmaceutics. 158: 47-55 A1 Journal article (refereed), original research -
A rhodopsin-based model for melatonin recognition at its G protein-coupled receptor
Navajas C, Kokkola T, Poso A, Honka N, Gynther J, Laitinen JT. 1996. European journal of pharmacology. 304: 173-183 A1 Journal article (refereed), original research -
CoMFA of flavonoids with antimutagenic activity against 2-amino-3-methylimidazo[4,5-f]quinoline (IQ). [Online]
Navajas C, Poso A, Gynther J. 1996. ELECTRONIC JOURNAL OF THEORETICAL CHEMISTRY (EJTC). 1: 1-8 [10.1.1997] A1 Journal article (refereed), original research -
Comparative molecular field analysis (CoMFA) ja sen soveltaminen eräiden biologisesti aktiivisten yhdisteiden tutkimiseen
Poso A. 1996. Dosis. 12: 97-101 D1 Article in a trade journal -
Comparative molecular field analysis (CoMFA) of MX compounds using different semi-empirical methods: LUMO field and its correlation with mutagenic activity
Navajas C, Poso A, Tuppurainen K, Gynther J. 1996. Quantitative structure-activity relationships. 15: 189-193 A1 Journal article (refereed), original research -
Partial least squares (pls) analysis in prediction of contact angles for pharmaceutical materials
Suihko E, Poso A, Ketolainen J, Gynther J, Paronen P. Teoksessa: (toim.) , 1996. Proceedings of the 15th Pharmaceutical Technology Conference. Vol. 2a.. s. 259-264. A4 Conference proceedings -
An empirical and theoretical study on mechanisms of mutagenic activity of hydrazine compounds
Poso A, von Wright A, Gynther J. 1995. Mutation research. 332: 63-71 A1 Journal article (refereed), original research -
Changes in solid-state structure of cyclophosphamide monohydrate induced by mechanical treatment and storage
Ketolainen J, Poso A, Viitasaari V, Gynther J, Pirttimäki J, Laine E, Paronen P. 1995. Pharmaceutical research. 12: 299-304 A1 Journal article (refereed), original research -
Characterization of physical properties of theophylline and its polymorphs
Ketolainen J, Suihko E, Poso A, Ahlgren M, Gynther J, Paronen P. Teoksessa: (toim.) , 1995. Proceedings of the 14th Pharmaceutical Technology Conference. Vol. 3. s. 109-115. A4 Conference proceedings -
Comparative molecular field analysis of compounds with CYP2A5 binding affinity
Poso A, Juvonen R, Gynther J. 1995. Quantitative structure-activity relationships. 14: 507-511 A1 Journal article (refereed), original research -
Competitive inhibition of coumarin 7-hydroxylation by pilocarpine and its interaction with mouse CYP 2A5 and human CYP 2A6
Kinonen T, Pasanen M, Gynther J, Poso A, Järvinen T, Alhava E, Juvonen RO. 1995. British journal of pharmacology. 116: 2625-2630 A1 Journal article (refereed), original research -
Modeling of Some Bioactive Compounds Utilizing CoMFA with Different Field Types
Poso A. 1995. Kuopion yliopiston julkaisuja A. Farmaseuttiset tieteet G5 Doctoral dissertation (article)