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Thales Kronenberger

Thales Kronenberger

Docent

School of Pharmacy, Faculty of Health Sciences

[email protected]

Information Publications

Publications

68/68 items

Capsaicin-Inspired Hydroxamate Hybrids as Selective HDAC6 Inhibitors with Antiproliferative Activity in Hematological Malignancies
Gimenez Borges, Lara; Alves, Thais Nascimento de Oliveira; Vassiliades, Sandra Valeria; Carlos, Jorge Antonio Elias Godoy; Waitman, Karoline de Barros; Hilscher, Sebastian; Schutkowski, Mike; Sippl, Wolfgang; Tavares, Maurício Temotheo; Toledo, Monica Franco Zannini Junqueira; Costa-Lotufo, Letícia Veras; Kronenberger, Thales; Machado-Neto, João Agostinho; Parise-Filho, Roberto, 2026, ACS omega, 11, 5, 8415-8430. A1 Journal article (refereed), original research
Identification of an N-methylpyrazole derivative as a selective inhibitor of breast cancer resistance protein (BCRP/ABCG2)
Siridó, Andrezza Braiane Ferreira; Gomes de Oliveira, Arthur Henrique; Poletto, Julia; Kronenberger, Thales; Rego, Fabiane Gomes de Moraes; Picheth, Geraldo; Le Borgne, Marc; Boumendjel, Ahcène; Rosa, Fernanda Andreia; Valdameri, Glaucio; Moure, Vivian Rotuno, 2026, Archives of biochemistry and biophysics, 779, 110761. A1 Journal article (refereed), original research
Repositioning HDAC Inhibitors for Glioma Treatment: Synthesis and Biological Evaluation
Furtado, Luciana Costa; Waitman, Karoline de Barros; Silva, Nuno ATF; Gouvea, Leticia Marcelino; Kronenberger, Thales; Toledo, Mônica Franco Zannini Junqueira; Ferreira, Elthon Gois; Machado-Neto, João Agostinho; Kruyt, Frank A E; Parise Filho, Roberto; Costa-Lotufo, Letícia V, 2026, ACS omega, 11, 6, 10104-10120. A1 Journal article (refereed), original research
The metabolome of an E. coli CRISPRi library identifies benefits of minimal metabolite levels and targets for engineering
Rapp, Johanna; Verhülsdonk, Andreas; Garcke, Anton; Stadelmann, Amelie; Farke, Niklas; Troßmann, Felicia; Kronenberger, Thales; Alvarado, Alejandra; Petras, Daniel; Link, Hannes, 2026, Cell systems, [Online now March 05, 2026], 101518. A1 Journal article (refereed), original research
A Twist of Fate: The Helix–Turn–Helix Motif in Pseudomonas aeruginosa ExsA Can Allosterically Stabilize the Ligand-Binding Domain
Medarametla, Prasanthi; Greenhalgh, Jack Calum; Pöhner, Ina; Welch, Martin; Poso, Antti; Kronenberger, Thales; Rahman, Taufiq, 2025, Journal of chemical information and modeling, 65, 22, 12448-12463. A1 Journal article (refereed), original research
A twist in the tale: shifting from covalent targeting of a tyrosine in JAK3 to a lysine in MK2
Hillebrand, Laura; Wang, Guiqun; Rasch, Alexander; Masberg, Benedikt; Chaikuad, Apirat; Kronenberger, Thales; Günther, Ellen; Forster, Michael; Poso, Antti; Lämmerhofer, Michael; Laufer, Stefan A.; Knapp, Stefan; Gehringer, Matthias, 2025, RSC medicinal chemistry, 16, 10, 4906-4919. A1 Journal article (refereed), original research
Activation of steroid hormone receptors by metabolism-disrupting chemicals
Pitkänen, Sini; Niskanen, Jonna; Mysore, Raghavendra; Niskanen, Einari A; Palvimo, Jorma J; Pijnenburg, Dirk; van Beuningen, Rinie; Rashidian, Azam; Kronenberger, Thales; Poso, Antti; Levonen, Anna-Liisa; Küblbeck, Jenni; Honkakoski, Paavo, 2025, Toxicology and applied pharmacology, 499, 117335. A1 Journal article (refereed), original research
Continuous exchange of an inner-membrane ring component is required for assembly and function of the type III secretion system
Brianceau, Corentin; Wimmi, Stephan; Kronenberger, Thales; Diepold, Andreas, 2025, Nature communications, 16, 1, 9889. A1 Journal article (refereed), original research
Design, Synthesis, and Unprecedented Interactions of Covalent Dipeptide-Based Inhibitors of SARS-CoV-2 Main Protease and Its Variants Displaying Potent Antiviral Activity
Flury, Philipp; Krüger, Nadine; Sylvester, Katharina; Breidenbach, Julian; Al Hamwi, Ghazl; Qiao, Jingxin; Chen, Yan; Rocha, Cheila; Serafim, Mateus Sá Magalhães; Barbosa da Silva, Elany; Pöhlmann, Stefan; Poso, Antti; Kronenberger, Thales; Rox, Katharina; O’Donoghue, Anthony J.; Yang, Shengyong; Sträter, Norbert; Gütschow, Michael; Laufer, Stefan A.; Müller, Christa E.; Pillaiyar, Thanigaimalai, 2025, Journal of medicinal chemistry, 68, 3, 3626-3652. A1 Journal article (refereed), original research
Discovery of Arylfuran and Carbohydrate Derivatives from the BraCoLi Library as Potential Zika Virus NS3pro Inhibitors
Oliveira, Fernanda Kelly Marcelino e; Murta Rezende Moraes Ribeiro, Beatriz; Goncalves de Oliveira, Ellen; Mol Sena Andrade Verzola, Marina; Kronenberger, Thales; Goncalves Maltarollo, Vinicius; Alves, Ricardo Jose; Barbosa de Oliveira, Renata; Salgado Ferreira, Rafaela; Santos Abrahao, Jonatas; Sa Magalhaes Serafim, Mateus, 2025, Future pharmacology, 5, 1, 9. A1 Journal article (refereed), original research
Discovery of benzyl carbamate inhibitors of coronavirus M <sup>pro</sup> enzymes from a legacy collection of cysteine protease inhibitors
Sá Magalhães Serafim, Mateus; Kronenberger, Thales; Francisco, Karol R.; de Sousa Reis, Erik Vinicius; Gonçalves de Oliveira, Ellen; Marcelino e Oliveira, Fernanda Kelly; Serraglio Fortes, Isadora; Maciel Fernandes, Thaís Helena; Barbosa da Silva, Elany; Fajtova, Pavla; Skinner, Danielle E.; Syed, Rafay O; Lage de Siqueira-Neto, Jair; Poso, Antti; Fernandes Mota, Bruno Eduardo; Alves Coelho-dos-Reis, Jordana Grazziela; Santos Abrahão, Jônatas; Gonçalves Maltarollo, Vinícius; O’Donoghue, Anthony, 2025, Journal of enzyme inhibition and medicinal chemistry, 40, 1, 1-24. A1 Journal article (refereed), original research
Discovery of synthetic small molecules targeting the central regulator of <i>Salmonella</i> pathogenicity
Boudrioua, Abdelhakim; Joiner, Joe D.; Grin, Iwan; Kronenberger, Thales; Korotkov, Vadim S.; Steinchen, Wieland; Kohler, Alexander; Schminke, Sophie; Schulte, Julia-Christina; Pietsch, Michael; Naini, Arun; Kalverkamp, Simon; Hotop, Sven-Kevin; Coyle, Travis; Piselli, Claudio; Coles, Murray; Rox, Katharina; Marschal, Matthias; Bange, Gert; Flieger, Antje; Poso, Antti; Brönstrup, Mark; Hartmann, Marcus D.; Wagner, Samuel, 2025, Science advances, 11, 15, 1-23. A1 Journal article (refereed), original research
Dona Flor and her two husbands: Discovery of novel HDAC6/AKT2 inhibitors for myeloid cancer treatment
Waitman, Karoline B; Martin, Holli-Joi; Carlos, Jorge AEG.; Braga, Rodolpho C; Souza, Vinícius AM; Melo-Filho, Cleber C; Hilscher, Sebastian; Toledo, Mônica FZJ; Tavares, Maurício T; Costa-Lotufo, Letícia V; Machado-Neto, João A; Schutkowski, Mike; Sippl, Wolfgang; Kronenberger, Thales; Alves, Vinicius M; Parise-Filho, Roberto; Muratov, Eugene N, 2025, Computers in biology and medicine, 197, Part A, 110990. A1 Journal article (refereed), original research
First-in-class ultralong-target-residence-time p38α inhibitors as a mitosis-targeted therapy for colorectal cancer
Rudalska, Ramona; Harbig, Jule; Forster, Michael; Woelffing, Pascal; Esposito, Aylin; Kudolo, Mark; Botezatu, Adelina; Haller, Vanessa; Janssen, Nicole; Holzmayer, Samuel; Nahidino, Philipp; Trompak, Omelyan; Pantsar, Tatu; Kronenberger, Thales; Yurttas, Can; Rist, Elke; Weber, Alexander N R; Dahlke, Marc H; Ott, German; Koenigsrainer, Alfred; Rothbauer, Ulrich; Maerklin, Melanie; Muerdter, Thomas; Schwab, Matthias; Singer, Stephan; Zender, Lars; Laufer, Stefan; Dauch, Daniel, 2025, Nature cancer, 6, 2, 259-277. A1 Journal article (refereed), original research
Look What You Made Me Do: Discerning Feature for Classification of Endocrine-Disrupting Chemical Binding to Steroid Hormone Receptors
Rashidian, Azam; Pitkänen, Sini; Maltarollo, Vinicius Goncalves; Schoppmeier, Ulrich; Shevchenko, Ekaterina; Medarametla, Prasanthi; Poso, Antti; Küblbeck, Jenni; Honkakoski, Paavo; Kronenberger, Thales, 2025, Journal of chemical information and modeling, 65, 8, 4148-4162. A1 Journal article (refereed), original research
New players from the old chalcone scaffold: Synthesis, identification, and characterization of new potent ABCG2 inhibitors
Ruginsk, Bruna Estelita; Zattoni, Ingrid Fatima; Gomes De Oliveira, Arthur Henrique; Zanzarini, Isadora da Silva; de Moraes Rego, Fabiane Gomes; Picheth, Geraldo; Poso, Antti; Kronenberger, Thales; Goda, Katalin; Moure, Vivian Rotuno; Boumendjel, Ahcène; Valdameri, Glaucio, 2025, European journal of medicinal chemistry, 299, 118077. A1 Journal article (refereed), original research
Ouratein D, a Biflavanone From Ouratea spectabilis, Alleviates Betacoronavirus Infection by Mitigating Inflammation, Lung Damage and Viral Replication
Monteiro, Adelson Héric A.; Freitas, Kátia M.; Montuori‐Andrade, Ana Clara M.; de Lima, Erick Bryan Sousa; Carvalho, Antônio Felipe S.; Cardoso, Camila; Lara, Edvaldo S.; Oliveira, Leonardo Camilo; Zaidan, Isabella; da Santos, Felipe Rocha Silva; Resende, Filipe; Souza‐Costa, Luiz Pedro; Queiroz‐Junior, Celso M.; Chaves, Ian de Meira; Nóbrega, Natália R. C.; Rabelo, Maria Beatriz O.; Rocha, Marina P.; Campana, Priscilla R. V.; Pádua, Rodrigo M.; Ferreira, Rafaela S.; Barreto, Luiza V.; Kronenber, 2025, Phytotherapy research, 39, 5, 2180-2196. A1 Journal article (refereed), original research
Pseudomonas aeruginosa acyl-CoA dehydrogenases and structure-guided inversion of their substrate specificity
Wang, Meng; Medarametla, Prasanthi; Kronenberger, Thales; Deingruber, Tomas; Brear, Paul; Figueroa, Wendy; Ho, Pok-Man; Krueger, Thomas; Pearce, James C.; Poso, Antti; Wakefield, James G.; Spring, David R.; Welch, Martin, 2025, Nature communications, 16, 1, 2334. A1 Journal article (refereed), original research
Tetrahydroquinoline/4,5-dihydroisoxazoline derivatives counteract multidrug resistance in cancer cells by inhibiting P-glycoprotein (ABCB1)-mediated transport
Hembecker, Marina; Kita, Diogo Henrique; Rashidian, Azam; Vesga, Luis C.; Ruginsk, Bruna Estelita; Romero Bohórquez, Arnold R.; Mendez-Sanchez, Stelia Carolina; Maltarollo, Vinicius Goncalves; de Moraes Rego, Fabiane Gomes; Picheth, Geraldo; Poso, Antti; Goda, Katalin; Ambudkar, Suresh V.; Moure, Vivian Rotuno; Kronenberger, Thales; Valdameri, Glaucio, 2025, Biochimica et biophysica acta: general subjects, 1870, 2, 130894. A1 Journal article (refereed), original research
Tetrahydroquinoline/4,5-dihydroisoxazoline hybrids counteracts multidrug resistance by inhibiting MRP1-mediated drug efflux
da Silva Pereira, Giovana; Vesga, Luis C.; Scheiffer, Gustavo; Zattoni, Ingrid Fatima; Ruginsk, Bruna Estelita; Bernal, Cristian C.; Romero Bohórquez, Arnold R.; Mendez-Sanchez, Stelia Carolina; Rashidian, Azam; Poso, Antti; Gomes de Moraes Rego, Fabiane; Picheth, Geraldo; Moure, Vivian Rotuno; Kronenberger, Thales; Valdameri, Glaucio, 2025, Biochemical and biophysical research communications, 774, 152074. A1 Journal article (refereed), original research
The human microbiome-derived antimicrobial lugdunin self-regulates its biosynthesis by a feed-forward mechanism
Reetz, Leonie; Schulze, Lukas; Kronenberger, Thales; Selim, Khaled A.; Schaefle, Timm; Dema, Taulant; Zipperer, Alexander; Mößner, Jens; Poso, Antti; Grond, Stephanie; Peschel, Andreas; Krismer, Bernhard, 2025, Mbio, 16, 4, e03571-24. A1 Journal article (refereed), original research
The hypolipidemic effect of MI-883, the combined CAR agonist/ PXR antagonist, in diet-induced hypercholesterolemia model
Dusek, Jan; Mejdrová, Ivana; Dohnalová, Klára; Smutny, Tomas; Chalupsky, Karel; Krutakova, Maria; Skoda, Josef; Rashidian, Azam; Pavkova, Ivona; Škach, Kryštof; Hricová, Jana; Chocholouskova, Michaela; Smutna, Lucie; Kamaraj, Rajamanikkam; Hroch, Miloš; Leníček, Martin; Mičuda, Stanislav; Pijnenburg, Dirk; van Beuningen, Rinie; Holčapek, Michal; Vítek, Libor; Ingelman-Sundberg, Magnus; Burk, Oliver; Kronenberger, Thales; Nencka, Radim; Pavek, Petr, 2025, Nature communications, 16, 1, 1418. A1 Journal article (refereed), original research
Uncovering α-Selectivity for Liver X Receptor Agonists for Lipotoxic Cancer Therapies
Galvez B. Pedreira, Júlia; Woelffing, Pascal; Schwarz, Moritz; Ebner, Simon; Rudalska, Ramona; Masberg, Benedikt; Esposito, Aylin; Rashidian, Azam; Schevchenko, Ekaterina; Smutna, Lucie; Pavek, Petr; Kublbeck, Jenni; Kronenberger, Thales; Zender, Lars; Lämmerhofer, Michael; Dauch, Daniel; Laufer, Stefan A, 2025, Journal of medicinal chemistry, 68, 7, 7180-7196. A1 Journal article (refereed), original research
Unveiling the substrate specificity of the ABC transporter Tba and its role in glycopeptide biosynthesis
Gericke, Nicola; Beqaj, Dardan; Kronenberger, Thales; Kulik, Andreas; Gavriilidou, Athina; Franz-Wachtel, Mirita; Schoppmeier, Ulrich; Harbig, Theresa; Rapp, Johanna; Grin, Iwan; Ziemert, Nadine; Link, Hannes; Nieselt, Kay; Macek, Boris; Wohlleben, Wolfgang; Stegmann, Evi; Wagner, Samuel, 2025, iScience, 28, 4, 112135. A1 Journal article (refereed), original research
Aminopyrimidine Derivatives as Multiflavivirus Antiviral Compounds Identified from a Consensus Virtual Screening Approach
Serafim, Mateus Sá Magalhães; Kronenberger, Thales; Rocha, Rafael Eduardo Oliveira; Rosa, Amanda Del Rio Abreu; Mello, Thaysa Lara Gonçalves; Poso, Antti; Ferreira, Rafaela Salgado; Abrahão, Jonatas Santos; Kroon, Erna Geessien; Mota, Bruno Eduardo Fernandes; Maltarollo, Vinícius Gonçalves, 2024, Journal of chemical information and modeling, 64, 2, 393-411. A1 Journal article (refereed), original research
Beyond the MEP Pathway: A novel kinase required for prenol utilization by malaria parasites
Crispim, Marcell; Verdaguer, Ignasi Bofill; Hernández, Agustín; Kronenberger, Thales; Fenollar, Àngel; Yamaguchi, Lydia Fumiko; Alberione, María Pía; Ramirez, Miriam; de Oliveira, Sandra Souza; Katzin, Alejandro Miguel; Izquierdo, Luis, 2024, PLoS pathogens, 20, 1, e1011557. A1 Journal article (refereed), original research
Carmaphycin B-Based Proteasome Inhibitors to Treat Human African Trypanosomiasis: Structure–Activity Relationship and In Vivo Efficacy
Liu, Lawrence J; Francisco, Karol R; Sun, Yujie Uli; Serafim, Mateus Sá Magalhães; Amarasinghe, Dilini K; Teixeira, Thaiz R; Lucero, Bobby; Kronenberger, Thales; Elsayed, Waad; Elwakeel, Hala; Al-Hindy, Momen; Almaliti, Jehad; Gerwick, William H; O’Donoghue, Anthony J; Caffrey, Conor R, 2024, ACS infectious diseases, 10, 12, 4182-4193. A1 Journal article (refereed), original research
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, 2, 493-514. 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, 5, 3813-3842. 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, 16, 6913-6923. A1 Journal article (refereed), original research
Halogen Bonding on Water─A Drop in the Ocean?
Engelhardt, Marc U.; Zimmermann, Markus O.; Dammann, Marcel; Stahlecker, Jason; Poso, Antti; Kronenberger, Thales; Kunick, Conrad; Stehle, Thilo; Boeckler, Frank M., 2024, Journal of chemical theory and computation, 20, 23, 10716-10730. A1 Journal article (refereed), original research
Machine Learning-Based Virtual Screening of Antibacterial Agents against Methicillin-Susceptible and Resistant Staphylococcus aureus
Fernandes, Philipe Oliveira; Dias, Anna Letícia Teotonio; dos Santos Júnior, Valtair Severino; Sá Magalhães Serafim, Mateus; Sousa, Yamara Viana; Monteiro, Gustavo Claro; Coutinho, Isabel Duarte; Valli, Marilia; Verzola, Marina Mol Sena Andrade; Ottoni, Flaviano Melo; Pádua, Rodrigo Maia de; Oda, Fernando Bombarda; dos Santos, André Gonzaga; Andricopulo, Adriano Defini; da Silva Bolzani, Vanderlan; Mota, Bruno Eduardo Fernandes; Alves, Ricardo José; de Oliveira, Renata Barbosa; Kronenberger, Tha, 2024, Journal of chemical information and modeling, 64, 6, 1932-1944. A1 Journal article (refereed), original research
Synthesis, design, and optimization of a potent and selective series of pyridylpiperazines as promising antimalarial agents
da Silva Oliveira, Douglas Davison; Paz, Franciarli; Brito, Nícolas Peterson Ferreira; Krüger, Arne; Martinho, Ana Clara Cassiano; Lapierre, Thibault Joseph William Jacques Dit; de Oliveira Souza, Felipe; Maltarollo, Vinícius G; Kronenberger, Thales; Mendes, Marina Sena; Nonato, Maria Cristina; Pilau, Eduardo Jorge; Wrenger, Carsten; Wunderlich, Gerhard; Rezende Júnior, Celso de Oliveira, 2024, European journal of medicinal chemistry, 275, 116621. A1 Journal article (refereed), original research
Synthetic Curcumin Analogues Present Antiflavivirus Activity In Vitro with Potential Multiflavivirus Activity from a Thiazolylhydrazone Moiety
Serafim, Mateus Sa Magalhaes; Kronenberger, Thales; de Oliveira, Renata Barbosa; Kroon, Erna Geessien; Abrahao, Jonatas Santos; Mota, Bruno Eduardo Fernandes; Maltarollo, Vinicius Goncalves, 2024, Future pharmacology, 3, 2, 364-378. A1 Journal article (refereed), original research
Targeting Lewy body dementia with neflamapimod‐rasagiline hybrids
Albertini, Claudia; Petralla, Sabrina; Massenzio, Francesca; Monti, Barbara; Rizzardi, Nicola; Bergamini, Christian; Uliassi, Elisa; Borges, Fernanda; Chavarria, Daniel; Fricker, Gert; Goettert, Marcia; Kronenberger, Thales; Gehringer, Matthias; Laufer, Stefan; Bolognesi, Maria L, 2024, Archiv der pharmazie, 357, 6, 2300525. 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, 1, 21006. A1 Journal article (refereed), original research
COVID-19 therapeutics: Small-molecule drug development targeting SARS-CoV-2 main protease
Kronenberger, Thales; Laufer, Stefan A; Pillaiyar, Thanigaimalai, 2023, Drug discovery today, 28, 6, 103579. A2 Review article, Literature review, Systematic review
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, 4, 1259. 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, 11, 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, 24, 17118-17137. A1 Journal article (refereed), original research
Discovery of Lead 2-Thiazolylhydrazones with Broad-Spectrum and Potent Antifungal Activity
Oliveira, Nereu Junio Cândido; dos Santos Júnior, Valtair Severino; Pierotte, Isabella Campolina; Leocádio, Victor Augusto Teixeira; Santana, Luiz Felipe de Andrade; Marques, Gabriel Vitor de Lima; Protti, Ícaro Ferrari; Braga, Saulo Fehelberg Pinto; Kohlhoff, Markus; Freitas, Túlio Resende; Sabino, Adriano de Paula; Kronenberger, Thales; Gonçalves, José Eduardo; Johann, Susana; Santos, Daniel A; César, Isabela da Costa; Maltarollo, Vinícius Gonçalves; Oliveira, Renata Barbosa, 2023, Journal of medicinal chemistry, 66, 24, 16628-16645. A1 Journal article (refereed), original research
Discovery of Novel Human Constitutive Androstane Receptor Agonists with the Imidazo[1,2-a]pyridine Structure
Mejdrová, Ivana; Dušek, Jan; Škach, Kryštof; Stefela, Alžbeta; Skoda, Josef; Chalupský, Karel; Dohnalová, Klára; Pavkova, Ivona; Kronenberger, Thales; Rashidian, Azam; Smutná, Lucie; Duchoslav, Vojtěch; Smutny, Tomas; Pávek, Petr; Nencka, Radim, 2023, Journal of medicinal chemistry, 66, 4, 2422–2456. A1 Journal article (refereed), original research
Extracellular vesicles of trypomastigotes of Trypanosoma cruzi induce changes in ubiquitin-related processes, cell-signaling pathways and apoptosis
Cornet-Gomez, Alberto; Retana Moreira, Lissette; Kronenberger, Thales; Osuna, Antonio, 2023, Scientific reports, 13, 1, 7618. A1 Journal article (refereed), original research
HDAC specificity and kinase off-targeting by purine-benzohydroxamate anti-hematological tumor agents
Waitman, Karoline B.; de Almeida, Larissa C.; Primi, Marina C.; Carlos, Jorge A.E.G.; Ruiz, Claudia; Kronenberger, Thales; Laufer, Stefan; Goettert, Marcia Ines; Poso, Antti; Vassiliades, Sandra V.; de Souza, Vinícius A.M.; Toledo, Mônica F.Z. J.; Hassimotto, Neuza M.A.; Cameron, Michael D.; Bannister, Thomas D.; Costa-Lotufo, Letícia V.; Machado-Neto, João A.; Tavares, Maurício T.; Parise-Filho, Roberto, 2023, European journal of medicinal chemistry, 263, 115935. A1 Journal article (refereed), original research
HilE represses the activity of the Salmonella virulence regulator HilD via a mechanism distinct from that of intestinal long-chain fatty acids
Joiner, Joe D; Steinchen, Wieland; Mozer, Nick; Kronenberger, Thales; Bange, Gert; Poso, Antti; Wagner, Samuel; Hartmann, Marcus D, 2023, Journal of biological chemistry, 299, 12, 105387. A1 Journal article (refereed), original research
Isolation and Characterization of the Arapaima gigas Growth Hormone (ag-GH) cDNA and Three-Dimensional Modeling of This Hormone in Comparison with the Human Hormone (hGH)
Lima, Eliana Rosa; Freire, Renan Passos; Suzuki, Miriam Fussae; Oliveira, João Ezequiel; Yosidaki, Vanessa Luna; Peroni, Cibele Nunes; Sevilhano, Thaís; Zorzeto, Moisés; Torati, Lucas Simon; Soares, Carlos Roberto Jorge; Lima, Igor Daniel de Miranda; Kronenberger, Thales; Maltarollo, Vinicius Gonçalves; Bartolini, Paolo, 2023, Biomolecules, 13, 1, 158. 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, 115347. 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, 2, 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, 11, 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, 22, 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, 3, 428. 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, 23, 8531. A1 Journal article (refereed), original research
Designing drugs when there is low data availability: one-shot learning and other approaches to face the issues of a long-term concern
Veríssimo, Gabriel C.; Serafim, Mateus Sá M.; Kronenberger, Thales; Ferreira, Rafaela S.; Honorio, Kathia M.; Maltarollo, Vinícius G, 2022, Expert opinion on drug discovery, 17, 9, 929-947. A1 Journal article (refereed), original research
Development of novel urea-based ATM kinase inhibitors with subnanomolar cellular potency and high kinome selectivity
Dimitrov, Teodor; Anli, Cetin; Moschopoulou, Athina Anastasia; Kronenberger, Thales; Kudolo, Mark; Geibel, Christian; Schwalm, Martin Peter; Knapp, Stefan; Zender, Lars; Forster, Michael; Laufer, Stefan, 2022, European journal of medicinal chemistry, 235, 114234. 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, 22, 5746-5761. 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, 1, 11585. 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, 24, 6553-6573. 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, 18, 4, e202200556. A1 Journal article (refereed), original research
(E)-7-Ethylidene-lithocholic Acid (7-ELCA) Is a Potent Dual Farnesoid X Receptor (FXR) Antagonist and GPBAR1 Agonist Inhibiting FXR-Induced Gene Expression in Hepatocytes and Stimulating Glucagon-like Peptide-1 Secretion From Enteroendocrine Cells
Stefela, Alzbeta; Kaspar, Miroslav; Drastik, Martin; Kronenberger, Thales; Micuda, Stanislav; Dracinsky, Martin; Klepetarova, Blanka; Kudova, Eva; Pavek, Petr, 2021, Frontiers in pharmacology, 12, 713149. 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
Conserved salt bridges facilitate assembly of the helical core export apparatus of a Salmonella enterica type III secretion system
Singh, Nidhi; Kronenberger, Thales; Eipper, Andrea; Weichel, Felix; Franz, Mirita; Macek, Boris; Wagner, Samuel, 2021, Journal of molecular biology, 433, 19, 167175. 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, 16, 2524-2534. 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, 18, 5662. 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
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, 3, 1346-1353. A1 Journal article (refereed), original research
Structure-activity relationship and mechanistic studies for a series of cinnamyl hydroxamate histone deacetylase inhibitors
Tavares, Maurício Temotheo; de Almeida, Larissa Costa; Kronenberger, Thales; Monteiro Ferreira, Glaucio; Fujii de Divitiis, Thainá; Franco Zannini Junqueira Toledo, Mônica; Mariko Aymoto Hassimotto, Neuza; Agostinho Machado-Neto, João; Veras Costa-Lotufo, Letícia; Parise-Filho, Roberto, 2021, Bioorganic and medicinal chemistry, 35, 116085. 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, 17, 2686-2694. A1 Journal article (refereed), original research

University of Eastern Finland Joensuu, Kuopio © University of Eastern Finland

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Thales Kronenberger

Capsaicin-Inspired Hydroxamate Hybrids as Selective HDAC6 Inhibitors with Antiproliferative Activity in Hematological Malignancies

Identification of an N-methylpyrazole derivative as a selective inhibitor of breast cancer resistance protein (BCRP/ABCG2)

Repositioning HDAC Inhibitors for Glioma Treatment: Synthesis and Biological Evaluation

The metabolome of an E. coli CRISPRi library identifies benefits of minimal metabolite levels and targets for engineering

A Twist of Fate: The Helix–Turn–Helix Motif in Pseudomonas aeruginosa ExsA Can Allosterically Stabilize the Ligand-Binding Domain

A twist in the tale: shifting from covalent targeting of a tyrosine in JAK3 to a lysine in MK2

Activation of steroid hormone receptors by metabolism-disrupting chemicals

Continuous exchange of an inner-membrane ring component is required for assembly and function of the type III secretion system

Design, Synthesis, and Unprecedented Interactions of Covalent Dipeptide-Based Inhibitors of SARS-CoV-2 Main Protease and Its Variants Displaying Potent Antiviral Activity

Discovery of Arylfuran and Carbohydrate Derivatives from the BraCoLi Library as Potential Zika Virus NS3pro Inhibitors

Discovery of benzyl carbamate inhibitors of coronavirus M <sup>pro</sup> enzymes from a legacy collection of cysteine protease inhibitors

Discovery of synthetic small molecules targeting the central regulator of <i>Salmonella</i> pathogenicity

Dona Flor and her two husbands: Discovery of novel HDAC6/AKT2 inhibitors for myeloid cancer treatment

First-in-class ultralong-target-residence-time p38α inhibitors as a mitosis-targeted therapy for colorectal cancer

Look What You Made Me Do: Discerning Feature for Classification of Endocrine-Disrupting Chemical Binding to Steroid Hormone Receptors

New players from the old chalcone scaffold: Synthesis, identification, and characterization of new potent ABCG2 inhibitors

Ouratein D, a Biflavanone From Ouratea spectabilis, Alleviates Betacoronavirus Infection by Mitigating Inflammation, Lung Damage and Viral Replication

Pseudomonas aeruginosa acyl-CoA dehydrogenases and structure-guided inversion of their substrate specificity

Tetrahydroquinoline/4,5-dihydroisoxazoline derivatives counteract multidrug resistance in cancer cells by inhibiting P-glycoprotein (ABCB1)-mediated transport

Tetrahydroquinoline/4,5-dihydroisoxazoline hybrids counteracts multidrug resistance by inhibiting MRP1-mediated drug efflux

The human microbiome-derived antimicrobial lugdunin self-regulates its biosynthesis by a feed-forward mechanism

The hypolipidemic effect of MI-883, the combined CAR agonist/ PXR antagonist, in diet-induced hypercholesterolemia model

Uncovering α-Selectivity for Liver X Receptor Agonists for Lipotoxic Cancer Therapies

Unveiling the substrate specificity of the ABC transporter Tba and its role in glycopeptide biosynthesis

Aminopyrimidine Derivatives as Multiflavivirus Antiviral Compounds Identified from a Consensus Virtual Screening Approach

Beyond the MEP Pathway: A novel kinase required for prenol utilization by malaria parasites

Carmaphycin B-Based Proteasome Inhibitors to Treat Human African Trypanosomiasis: Structure–Activity Relationship and In Vivo Efficacy

Cathepsin-Targeting SARS-CoV-2 Inhibitors: Design, Synthesis, and Biological Activity

Development of Selective Pyrido[2,3-d]pyrimidin-7(8H)-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors

Filling the Blank Space: Branched 4-Nonylphenol Isomers Are Responsible for Robust Constitutive Androstane Receptor (CAR) Activation by Nonylphenol

Halogen Bonding on Water─A Drop in the Ocean?

Machine Learning-Based Virtual Screening of Antibacterial Agents against Methicillin-Susceptible and Resistant Staphylococcus aureus

Synthesis, design, and optimization of a potent and selective series of pyridylpiperazines as promising antimalarial agents

Synthetic Curcumin Analogues Present Antiflavivirus Activity In Vitro with Potential Multiflavivirus Activity from a Thiazolylhydrazone Moiety

Targeting Lewy body dementia with neflamapimod‐rasagiline hybrids

1,3-Diphenylureido hydroxamate as a promising scaffold for generation of potent antimalarial histone deacetylase inhibitors

COVID-19 therapeutics: Small-molecule drug development targeting SARS-CoV-2 main protease

Characterization of Potent ABCG2 Inhibitor Derived from Chromone: From the Mechanism of Inhibition to Human Extracellular Vesicles for Drug Delivery

Design and Optimization of Novel Benzimidazole- and Imidazo[4,5-b]pyridine-Based ATM Kinase Inhibitors with Subnanomolar Activities

Development of Ligands for the Super Conserved Orphan G Protein-Coupled Receptor GPR27 with Improved Efficacy and Potency

Discovery of Lead 2-Thiazolylhydrazones with Broad-Spectrum and Potent Antifungal Activity

Discovery of Novel Human Constitutive Androstane Receptor Agonists with the Imidazo[1,2-a]pyridine Structure

Extracellular vesicles of trypomastigotes of Trypanosoma cruzi induce changes in ubiquitin-related processes, cell-signaling pathways and apoptosis

HDAC specificity and kinase off-targeting by purine-benzohydroxamate anti-hematological tumor agents

HilE represses the activity of the Salmonella virulence regulator HilD via a mechanism distinct from that of intestinal long-chain fatty acids

Isolation and Characterization of the Arapaima gigas Growth Hormone (ag-GH) cDNA and Three-Dimensional Modeling of This Hormone in Comparison with the Human Hormone (hGH)

Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily

Sodium-Dependent Neutral Amino Acid Transporter 2 Can Serve as a Tertiary Carrier for l -Type Amino Acid Transporter 1-Utilizing Prodrugs

Structural and molecular characterization of lopinavir and ivermectin as breast cancer resistance protein (BCRP/ABCG2) inhibitors

Structure-based discovery of thiosemicarbazones as SARS-CoV-2 main protease inhibitors

Targeting Glial Cells by Organic Anion-Transporting Polypeptide 1C1 (OATP1C1)-Utilizing l-Thyroxine-Derived Prodrugs

Trypanosoma cruzi Sirtuin 2 as a Relevant Druggable Target: New Inhibitors Developed by Computer-Aided Drug Design

Comparative Modelling of Organic Anion Transporting Polypeptides: Structural Insights and Comparison of Binding Modes

Designing drugs when there is low data availability: one-shot learning and other approaches to face the issues of a long-term concern

Development of novel urea-based ATM kinase inhibitors with subnanomolar cellular potency and high kinome selectivity

Do Go Chasing Waterfalls: Enoyl Reductase (FabI) in Complex with Inhibitors Stabilizes the Tetrameric Structure and Opens Water Channels

Inhibitor induced conformational changes in SARS-COV-2 papain-like protease

Structure-Based Identification of Naphthoquinones and Derivatives as Novel Inhibitors of Main Protease Mpro and Papain-like Protease PLpro of SARS-CoV-2

When the two become one: conformational changes in FXR/RXR heterodimers bound to steroidal antagonists

(E)-7-Ethylidene-lithocholic Acid (7-ELCA) Is a Potent Dual Farnesoid X Receptor (FXR) Antagonist and GPBAR1 Agonist Inhibiting FXR-Induced Gene Expression in Hepatocytes and Stimulating Glucagon-like Peptide-1 Secretion From Enteroendocrine Cells

A new porphyrin as selective substrate-based inhibitor of breast cancer resistance protein (BCRP/ABCG2)

Conserved salt bridges facilitate assembly of the helical core export apparatus of a Salmonella enterica type III secretion system

Ligand Accessibility Insights to the Dengue virus NS3-NS2B Protease Assessed by long-timescale Molecular Dynamics Simulations

Neurosteroids: Structure-Uptake Relationships and Computational Modeling of Organic Anion Transporting Polypeptides (OATP)1A2

SARS-COV-2 Mpro conformational changes induced by covalently bound ligands

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

Structure-activity relationship and mechanistic studies for a series of cinnamyl hydroxamate histone deacetylase inhibitors

Tetrahydroquinoline/4,5-Dihydroisoxazole Molecular Hybrids as Inhibitors of Breast Cancer Resistance Protein (BCRP/ABCG2)