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Tuomo Laitinen

Tuomo Laitinen

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Tietokoneavusteisen lääkeainesuunnittelun dosentti

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Molekyylimallinnuksen ja lääkeainesuunnittelun tu… 01.01.2010 -

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3D-QSAR lääkeainesuunnittelu molekyylimallinnus vierasmolekyylien sitoutuminen virtuaaliseulonta

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66 kappaletta

BCKDK: an emerging kinase target for metabolic diseases and cancer
East, Michael P; Laitinen, Tuomo; Asquith, Christopher RM. Nature reviews drug discovery 20 7: 498. 2021
Synthesis and Evaluation of Novel 1,2,6-Thiadiazinone Kinase Inhibitors as Potent Inhibitors of Solid Tumors
Kalogirou, Andreas S.; East, Michael P.; Laitinen, Tuomo; Torrice, Chad D.; Maffuid, Kaitlyn A.; Drewry, David H.; Koutentis, Panayiotis A.; Johnson, Gary L.; Crona, Daniel J.; Asquith, Christopher R. M.. Molecules 26 19: 5911. 2021
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. Bioorganic chemistry 112: 104921. 2021
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. Molecular systems biology 17 11: e10396. 2021
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. Journal of chemical information and modeling 61 3: 1346-1353. 2021
Identification of Key Amino Acids that Impact Organic Solute Transporter Alpha/Beta (OSTα/ß)
Murphy, William A.; Beaudoin, James J.; Laitinen, Tuomo; Sjöstedt, Noora; Malinen, Melina M.; Ho, Henry; Swaan, Peter W.; Honkakoski, Paavo; Brouwer, Kim L.R.. Molecular pharmacology 100 6: 599-608. 2021
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. Journal of virology 95 12: e00107-21. 2021
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.. International journal of molecular sciences 22 11: 6108. 2021
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. Chemmedchem 15 13: 1200-1215. 2020
New Insights into 4-Anilinoquinazolines as Inhibitors of Cardiac Troponin I-Interacting Kinase (TNNi3K)
Asquith, Christopher; Laitinen, Tuomo; Wells, Carrow; Tizzard, Graham; Zuercher, William. Molecules 25 7: 1697. 2020
PIP5K1A: a potential target for cancers with KRAS or TP53 mutations
East, Michael P; Laitinen, Tuomo; Asquith, Christopher R M. Nature reviews drug discovery 19 7: 436-436. 2020
WNK kinases: an untapped opportunity to modulate ion transport
East, Michael P; Laitinen, Tuomo; Asquith, Christopher R. Nature reviews drug discovery 19 12: 828. 2020
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. Antibiotics 9 7: E369. 2020
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. European journal of pharmaceutical sciences 149: 105321. 2020
Design of a Cyclin G Associated Kinase (GAK)/Epidermal Growth Factor Receptor (EGFR) Inhibitor Set to Interrogate the Relationship of EGFR and GAK in Chordoma
Asquith, Christopher R M; Naegeli, Kaleb M; East, Michael P; Laitinen, Tuomo; Havener, Tammy M; Wells, Carrow I; Johnson, Gary L; Drewry, David H; Zuercher, William J; Morris, David C. Journal of medicinal chemistry 92 9: 4772-4778. 2019
Exploration and Development of a C-H-Activated Route to Access the [1,2]Dithiolo[4,3-b]indole-3(4H)-thione Core and Related Derivatives
Asquith, Christopher RM; Konstantinova, Lidia S; Tizzard, Graham J; Laitinen, Tuomo; Coles, Simon J; Rakitin, Oleg A; Hilton, Stephen T. Synlett 30 2: 156-160. 2019
PKMYT1: a forgotten member of the WEE1 family
Asquith, Christopher RM; Laitinen, Tuomo; East, Michael P. Nature reviews drug discovery 19 3: 157-157. 2019
Towards the Development of an In vivo Chemical Probe for Cyclin G Associated Kinase (GAK)
Asquith, CRM; Bennett, JM; Su, L; Laitinen, T; Elkins, JM; Pickett, JE; Wells, CI; Li, Z; Willson, TM; Zuercher, WJ. Molecules 24 22: 4016. 2019
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. Chemmedchem 2020; 15 1: 26-49. 2019
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. Chemmedchem 14 4: 454-461. 2019
Targeting an EGFR Water Network with 4-Anilinoquin(az)oline Inhibitors for Chordoma
Asquith, CRM; Maffuid, KA; Laitinen, T; Torrice, C; Tizzard, GJ; Crona, DJ; Zuercher, WJ. Chemmedchem 14 19: 1693-1700. 2019
Synthesis and comparison of substituted 1,2,3-dithiazole and 1,2,3-thiaselenazole as inhibitors of the feline immunodeficiency virus (FIV) nucleocapsid protein as a model for HIV infection
Asquith, CRM; Meili, T; Laitinen, T; Baranovsky, IV; Konstantinova, LS; Poso, A; Rakitin, OA; Hofmann-Lehmann, R. Bioorganic and medicinal chemistry letters 29 14: 1765-1768. 2019
Novel epidithiodiketopiperazines as anti-viral zinc ejectors of the Feline Immunodeficiency Virus (FIV) nucleocapsid protein as a model for HIV infection
Asquith, CRM; Sil, BC; Laitinen, T; Tizzard, GJ; Coles, SJ; Poso, A; Hofmann-Lehmann, R; Hilton, ST. Bioorganic and medicinal chemistry 27 18: 4174-4184. 2019
Quinazoline-based anti-virulence compounds selectively target Salmonella PhoP/PhoQ signal transduction system
Carabajal, María Ayelén; Asquith, Christopher RM; Laitinen, Tuomo; Tizzard, Graham J; Yim, Lucía; Rial, Analía; Chabalgoity, José A; Zuercher, William J; García Véscovi, Eleonora. Antimicrobial agents and chemotherapy 2020; 64 1: e01744-19. 2019
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. Molecules 24 7: 1380. 2019
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. Journal of medicinal chemistry 62 5: 2720-2737. 2019
1,2,6-thiadiazinones as novel narrow spectrum calcium/calmodulin-dependent protein kinase kinase 2 (CaMKK2) Inhibitors
Asquith, CRM; Godoi, PH; Counago, RM; Laitinen, T; Scott, JW; Langendorf, CG; Oakhill, JS; Drewry, DH; Zuercher, WJ; Koutentis, PA; Willson, TM; Kalogirou, AS. MOLECULES 23 5: 1221. 2018
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. Scientific reports 8: 13036. 2018
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. PLOS COMPUTATIONAL BIOLOGY 14 9: e1006458. 2018
Identification and Optimization of 4-Anilinoquinolines as Inhibitors of Cyclin G Associated Kinase
Asquith CRM, Laitinen T, Bennett JM, Godoi PH, East MP, Tizzard GJ, Graves LM, Johnson GL, Dornsife RE, Wells CI, Elkins JM, Willson TM, Zuercher WJ. CHEMMEDCHEM 2018; 13 1: 48-66. 2017
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. EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES 102: 188-195. 2017
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. Pharmaceuticals 10 1: 8. 2017
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. PROTEINS: STRUCTURE, FUNCTION, AND BIOINFORMATICS 85 9: 1684-1698. 2017
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. EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES 107: 97-111. 2017
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. CHEMMEDCHEM 11 9: 2119-2126. 2016
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. NUCLEIC ACIDS RESEARCH 44 4: 1760-1775. 2016
Chemoproteomic, biochemical and pharmacological approaches in the discovery of inhibitors targeting human alfa/beta-hydrolase domain containing 11 (ABHD11)
Navia-Paldanius D, Patel JZ, López Navarro M, Jakupovic H, Goffart S, Pasonen-Seppänen S, Nevalainen TJ, Jääskeläinen T, Laitinen T, Laitinen JT, Savinainen JR. EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES 93: 253-263. 2016
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. JOURNAL OF MOLECULAR MODELING 21:250: .. 2015
Loratadine analogues as MAGL inhibitors
Patel Jayendra Z, Ahenkorah Stephen, Vaara Miia, Staszewski Marek, Adams Yahaya, Laitinen Tuomo, Navia-Paldanius Dina, Parkkari Teija, Savinainen Juha R, Walczynski Krzysztof, Laitinen Jarmo T, Nevalainen Tapio J. BIOORGANIC AND MEDICINAL CHEMISTRY LETTERS 25 7: 1436-1442. 2015
Revisiting 1,3,4-Oxadiazol-2-ones: Utilization in the Development of ABHD6 Inhibitors
Patel Jayendra Z, van Bruchem John, Laitinen Tuomo, Kaczor Agnieszka A, Navia-Paldanius Dina, Parkkari Teija, Savinainen Juha R, Laitinen Jarmo T, Nevalainen Tapio J. BIOORGANIC AND MEDICINAL CHEMISTRY 23 19: 6335-6345. 2015
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. DRUG METABOLISM AND DISPOSITION 43: 1891-1904. 2015
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. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 107 (2016): 119-132. 2015
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. JOURNAL OF CHEMICAL INFORMATION AND MODELING 54: 2347-2359. 2014
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. BIOORGANIC AND MEDICINAL CHEMISTRY LETTERS 24: 2640-2644. 2014
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. BIOORGANIC AND MEDICINAL CHEMISTRY LETTERS 2015; 25 6: 1352-1355. 2014
Piperazine and piperidine carboxamides and carbamates as inhibitors of fatty acid amide hydrolase (FAAH) and monoacylglycerol lipase (MAGL)
Korhonen Jani, Kuusisto Anne, van Bruchem John, Patel Jayendra Z, Laitinen Tuomo, Navia-Paldanius Dina, Laitinen Jarmo T, Savinainen Juha R, Parkkari Teija, Nevalainen Tapio J. BIOORGANIC AND MEDICINAL CHEMISTRY 22 23: 6694-6705. 2014
Discovery of triterpenoids as reversible inhibitors of alpha/ß-hydrolase domain containing 12 (ABHD12)
Parkkari Teija, Haavikko Raisa, Laitinen Tuomo, Navia-Paldanius Dina, Rytilahti Roosa, Vaara Miia, Lehtonen Marko, Alakurtti Sami, Yli-Kauhaluoma Jari, Nevalainen Tapio, Savinainen Juha R, Laitinen Jarmo T. PLOS ONE [ONLINE] 9 5: e98286. 2014
Optimization of 1,2,5-thiadiazole carbamates as potent and selective ABHD6 inhibitors
Patel Jayendra Z, Nevalainen Tapio J, Savinainen Juha R, Adams Yahaya, Laitinen Tuomo, Runyon Robert S, Vaara Miia, Ahenkorah Stephen, Kaczor Agnieszka A, Navia-Paldanius Dina, Gynther Mikko, Aaltonen Niina, Joharapurkar Amit A, Jain Mukul R, Haka Abigail S, Maxfield Frederick R, Laitinen Jarmo T, Parkkari Teija. CHEMMEDCHEM 2015; 10 2: 253-265. 2014
Uusia yhdisteitä maksasyöpään
Poso Antti, Laitinen Tuomo, Zender Lars, Kalesse Markus, Laufer Stefan. DOSIS : FARMASEUTTINEN AIKAKAUSKIRJA 30 3: 205. 2014
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. MOLECULAR PHARMACOLOGY Epub ahead of print: -. 2014
Biochemical and Pharmacological Characterization of the Human Lymphocyte Antigen B-Associated Transcript 5 (BAT5/ABHD16A)
Savinainen Juha R, Patel Jayendra Z, Parkkari Teija, Navia-Paldanius Dina, Marjamaa Joona JT, Laitinen Tuomo, Nevalainen Tapio, Laitinen Jarmo T. PLOS ONE [ONLINE] 9 10: e109869. 2014
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. CHEMISTRY AND BIOLOGY 20: 379-390. 2013
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. MOLECULAR PHARMACOLOGY 2014:85: 510-519. 2013
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. LETTERS IN DRUG DESIGN & DISCOVERY 10 7: 640-650. 2013
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. JOURNAL OF MEDICINAL CHEMISTRY 56: 8484-8496. 2013
Identification of novel SIRT3 inhibitor scaffolds by virtual screening
Salo Heikki S, Laitinen Tuomo, Poso Antti, Jarho Elina, Lahtela-Kakkonen Maija. BIOORGANIC AND MEDICINAL CHEMISTRY LETTERS 23: 2990-2995. 2013
Structure-function analysis indicates that sumoylation modulates DNA-binding activity of STAT1
Grönholm Juha, Vanhatupa Sari, Ungureanu Daniela, Väliaho Jouni, Laitinen Tuomo, Valjakka Jarkko, Silvennoinen Olli. BMC BIOCHEMISTRY 13: 20. 2012
Molecular dynamics simulations for human CAR inverse agonists
Jyrkkärinne Johanna, Küblbeck Jenni, Pulkkinen Juha, Honkakoski Paavo, Laatikainen Reino, Poso Antti, Laitinen Tuomo. JOURNAL OF CHEMICAL INFORMATION AND MODELING 52: 457-464. 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. ACS Medicinal Chemistry Letters 3: 969-974. 2012
Peptides and Pseudopeptides as SIRT6 Inhibitors
Piia Kokkonen, Minna Rahnasto-Rilla, Päivi Kiviranta, Tero Huhtiniemi, Tuomo Laitinen, Antti Poso, Elina Jarho, Maija Lahtela-Kakkonen. Teoksessa: (toim.), EFMC-ISMC 2012 22nd International Symposium on Medicinal Chemistry Berlin, Germany, September 2.-6., 2012. ss. -. 2012
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. EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES 2013:48 1-2: 9-20. 2012
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. Molecular Pharmaceutics 8: 2424-2433. 2011
Use of comprehensive screening methods to detect selective human CAR activators
Küblbeck Jenni, Laitinen Tuomo, Jyrkkärinne Johanna, Rousu Timo, Tolonen Ari, Abel Tobias, Kortelainen Tanja, Uusitalo Jouko, Korjamo Timo, Honkakoski Paavo, Molnár Ferdinand. BIOCHEMICAL PHARMACOLOGY 82: 1994-2007. 2011
Molecular dynamics studies on the thermostability of family 11 xylanases
Purmonen M, Valjakka J, Takkinen K, Laitinen T, Rouvinen J. PROTEIN ENGINEERING, DESIGN AND SELECTION 20 11: 551-559. 2007
Comparative and pharmacophore model for deacetylase SIRT1
Huhtiniemi T, Wittekindt C, Laitinen T, Leppänen J, Salminen A, Poso A, Lahtela-Kakkonen M. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 20: 589-599. 2006
MM-PBSA free energy analysis of endo-1,4-xylanase II (xynII)-substrate complexes: binding of the reactive sugar in a skew boat and chair conformation
Laitinen T, Rouvinen J, Peräkylä M. ORGANIC AND BIOMOLECULAR CHEMISTRY 1: 3535-3540. 2003

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Näytä asetukset

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Tuomo Laitinen

Tutkimusryhmät

Avainsanat

BCKDK: an emerging kinase target for metabolic diseases and cancer

Synthesis and Evaluation of Novel 1,2,6-Thiadiazinone Kinase Inhibitors as Potent Inhibitors of Solid Tumors

Molecular characteristics supporting L-Type amino acid transporter 1 (LAT1)-mediated translocation

SARS-CoV-2--host proteome interactions for antiviral drug discovery

Structural Characterization of LsrK as a Quorum Sensing Target and a Comparison between X-ray and Homology Models

Identification of Key Amino Acids that Impact Organic Solute Transporter Alpha/Beta (OSTα/ß)

In vitro identification and in vivo confirmation of inhibitors for SPCSV RNA silencing suppressor, a viral RNase III

Docking-Based 3D-QSAR Studies for 1,3,4-oxadiazol-2-one Derivatives as FAAH Inhibitors

Targeting the water network in cyclin G associated kinase (GAK) with 4-anilino-quin(az)oline inhibitors

New Insights into 4-Anilinoquinazolines as Inhibitors of Cardiac Troponin I-Interacting Kinase (TNNi3K)

PIP5K1A: a potential target for cancers with KRAS or TP53 mutations

WNK kinases: an untapped opportunity to modulate ion transport

Antimicrobial and Antifungal Activity of Rare Substituted 1,2,3-Thiaselenazoles and Corresponding Matched Pair 1,2,3-Dithiazoles

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

Design of a Cyclin G Associated Kinase (GAK)/Epidermal Growth Factor Receptor (EGFR) Inhibitor Set to Interrogate the Relationship of EGFR and GAK in Chordoma

Exploration and Development of a C-H-Activated Route to Access the [1,2]Dithiolo[4,3-b]indole-3(4H)-thione Core and Related Derivatives

PKMYT1: a forgotten member of the WEE1 family

Towards the Development of an In vivo Chemical Probe for Cyclin G Associated Kinase (GAK)

Design and analysis of the 4-anilino-quin(az)oline kinase inhibition profiles of GAK/SLK/STK10 using quantitative structure activity relationships

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

Targeting an EGFR Water Network with 4-Anilinoquin(az)oline Inhibitors for Chordoma

Synthesis and comparison of substituted 1,2,3-dithiazole and 1,2,3-thiaselenazole as inhibitors of the feline immunodeficiency virus (FIV) nucleocapsid protein as a model for HIV infection

Novel epidithiodiketopiperazines as anti-viral zinc ejectors of the Feline Immunodeficiency Virus (FIV) nucleocapsid protein as a model for HIV infection

Quinazoline-based anti-virulence compounds selectively target Salmonella PhoP/PhoQ signal transduction system

In vitro and in silico evaluation of bikaverin as a potent inhibitor of human protein kinase CK2

DPD-Inspired Discovery of Novel LsrK Kinase Inhibitors: An Opportunity To Fight Antimicrobial Resistance

1,2,6-thiadiazinones as novel narrow spectrum calcium/calmodulin-dependent protein kinase kinase 2 (CaMKK2) Inhibitors

Whole grain intake associated molecule 5-aminovaleric acid betaine decreases ß-oxidation of fatty acids in mouse cardiomyocytes

Assessment of mutation probabilities of KRAS G12 missense mutants and their long-timescale dynamics by atomistic molecular simulations and Markov state modeling

Identification and Optimization of 4-Anilinoquinolines as Inhibitors of Cyclin G Associated Kinase

Surface area, volume and shape descriptors as a novel tool for polymer lead design and discovery

Development of Pharmacophore Model for Indeno[1,2-b]indoles as Human Protein Kinase CK2 Inhibitors and Database Mining

Structural review of PPAR gamma in complex with ligands: Cartesian-and dihedral angle principal component analyses of X-ray crystallographic data

Design, Synthesis, and Biological Evaluation of 2,4-Dihydropyrano[2,3-c]pyrazole Derivatives as Autotaxin Inhibitors

Evaluation of Substituted 1,2,3-Dithiazoles as Inhibitors of the Feline Immunodeficiency Virus (FIV) Nucleocapsid Protein via a Proposed Zinc Ejection Mechanism

The Effects of Sequence Variation on Genome-wide NRF2 Binding - New Target Genes and Regulatory SNPs

Chemoproteomic, biochemical and pharmacological approaches in the discovery of inhibitors targeting human alfa/beta-hydrolase domain containing 11 (ABHD11)

Comparative molecular field analysis and molecular dynamics studies of alpha/beta hydrolase domain containing 6 (ABHD6) inhibitors

Loratadine analogues as MAGL inhibitors

Revisiting 1,3,4-Oxadiazol-2-ones: Utilization in the Development of ABHD6 Inhibitors

Time-dependent inhibition of CYP2C19 by isoquinoline alkaloids: in vitro and in silico analysis

Potent and selective N-(4-sulfamoylphenyl)thiourea-based GPR55 agonists

Integrative and Personalized QSAR Analysis in Cancer by Kernelized Bayesian Matrix Factorization

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

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

Piperazine and piperidine carboxamides and carbamates as inhibitors of fatty acid amide hydrolase (FAAH) and monoacylglycerol lipase (MAGL)

Discovery of triterpenoids as reversible inhibitors of alpha/ß-hydrolase domain containing 12 (ABHD12)

Optimization of 1,2,5-thiadiazole carbamates as potent and selective ABHD6 inhibitors

Uusia yhdisteitä maksasyöpään

Robust hydrolysis of prostaglandin glycerol esters by human monoacylglycerol lipase (MAGL)

Biochemical and Pharmacological Characterization of the Human Lymphocyte Antigen B-Associated Transcript 5 (BAT5/ABHD16A)

Piperazine and piperidine triazole ureas as ultrapotent and highly selective inhibitors of monoacylglycerol lipase

Mutation of Cys242 of human monoacylglycerol lipase disrupts balanced hydrolysis of 1- and 2-monoacylglycerols and selectively impairs inhibitor potency

Synthesis and biological evaluation of arylthiourea derivatives with antitubercular activity

Chiral 1,3,4-oxadiazol-2-ones as highly selective FAAH inhibitors

Identification of novel SIRT3 inhibitor scaffolds by virtual screening

Structure-function analysis indicates that sumoylation modulates DNA-binding activity of STAT1

Molecular dynamics simulations for human CAR inverse agonists

Peptides and pseudopeptides as SIRT6 deacetylation inhibitors

Peptides and Pseudopeptides as SIRT6 Inhibitors

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

New in vitro tools to study human constitutive androstane receptor (CAR) biology: discovery and comparison of human CAR inverse agonists

Use of comprehensive screening methods to detect selective human CAR activators

Molecular dynamics studies on the thermostability of family 11 xylanases

Comparative and pharmacophore model for deacetylase SIRT1

MM-PBSA free energy analysis of endo-1,4-xylanase II (xynII)-substrate complexes: binding of the reactive sugar in a skew boat and chair conformation