GQ-16, a novel peroxisome proliferator-activated receptor γ (PPARγ) ligand, promotes insulin sensitization without weight gain AA Amato, S Rajagopalan, JZ Lin, BM Carvalho, ACM Figueira, J Lu, ... Journal of Biological Chemistry 287 (33), 28169-28179, 2012 | 143 | 2012 |
Déjà vu: stimulating open drug discovery for SARS-CoV-2 S Ekins, M Mottin, PRPS Ramos, BKP Sousa, BJ Neves, DH Foil, KM Zorn, ... Drug discovery today 25 (5), 928-941, 2020 | 112 | 2020 |
Molecular dynamics of DNA: comparison of force fields and terminal nucleotide definitions CG Ricci, ASC de Andrade, M Mottin, PA Netz The Journal of Physical Chemistry B 114 (30), 9882-9893, 2010 | 103 | 2010 |
The A–Z of Zika drug discovery M Mottin, JVVB Borba, RC Braga, PHM Torres, MC Martini, ... Drug discovery today 23 (11), 1833-1847, 2018 | 62 | 2018 |
High throughput and computational repurposing for neglected diseases HW Hernandez, M Soeung, KM Zorn, N Ashoura, M Mottin, CH Andrade, ... Pharmaceutical research 36, 1-20, 2019 | 48 | 2019 |
Molecular dynamics simulations of Zika virus NS3 helicase: Insights into RNA binding site activity M Mottin, RC Braga, RA da Silva, JHM da Silva, AL Perryman, S Ekins, ... Biochemical and Biophysical Research Communications 492 (4), 643-651, 2017 | 41 | 2017 |
Flavonoids from Pterogyne nitens as Zika virus NS2B-NS3 protease inhibitors CS Lima, M Mottin, LR de Assis, NCMR Mesquita, BK de Paula Sousa, ... Bioorganic chemistry 109, 104719, 2021 | 36 | 2021 |
Chalcones from Angelica keiskei (ashitaba) inhibit key Zika virus replication proteins M Mottin, LK Caesar, D Brodsky, NCMR Mesquita, KZ de Oliveira, ... Bioorganic chemistry 120, 105649, 2022 | 21 | 2022 |
Molecular modelling and optical properties of a novel fluorinated chalcone JMF Custodio, JJA Guimarães-Neto, R Awad, JE Queiroz, GMV Verde, ... Arabian Journal of Chemistry 13 (1), 3362-3371, 2020 | 20 | 2020 |
Doxycycline reverses cognitive impairment, neuroinflammation and oxidative imbalance induced by D-amphetamine mania model in mice: a promising drug repurposing for bipolar … AJM Chaves Filho, NL Cunha, P de Araújo Rodrigues, AG de Souza, ... European Neuropsychopharmacology 42, 57-74, 2021 | 19 | 2021 |
Molecular recognition of PPARγ by kinase CDK5/p25: Insights from a combination of protein–protein docking and adaptive biasing force simulations M Mottin, PCT Souza, MS Skaf The Journal of Physical Chemistry B 119 (26), 8330-8339, 2015 | 19 | 2015 |
Repurposing of tetracyclines for COVID-19 neurological and neuropsychiatric manifestations: a valid option to control SARS-CoV-2-associated neuroinflammation? AJM Chaves Filho, F Gonçalves, M Mottin, CH Andrade, SNS Fonseca, ... Journal of Neuroimmune Pharmacology 16, 213-218, 2021 | 18 | 2021 |
Dynamic behavior of Dengue and Zika viruses NS1 protein reveals monomer–monomer interaction mechanisms and insights to rational drug design RL Gonçalves, G de Lima Menezes, L Sussuchi, ML Moreli, M Mottin, ... Journal of Biomolecular Structure and Dynamics 38 (14), 4353-4363, 2020 | 18 | 2020 |
A diarylamine derived from anthranilic acid inhibits ZIKV replication S Silva, JF Shimizu, DM Oliveira, LR Assis, C Bittar, M Mottin, BKP Sousa, ... Scientific Reports 9 (1), 17703, 2019 | 18 | 2019 |
Neuroprotective effects of dimethyl fumarate against depression-like behaviors via astrocytes and microglia modulation in mice: possible involvement of the HCAR2/Nrf2 signaling … AG de Souza, IS Lopes, AJMC Filho, TMB Cavalcante, JVS Oliveira, ... Naunyn-Schmiedeberg's Archives of Pharmacology 395 (9), 1029-1045, 2022 | 15 | 2022 |
Computational chemogenomics drug repositioning strategy enables the discovery of epirubicin as a new repurposed hit for Plasmodium falciparum and P. vivax LT Ferreira, J Rodrigues, GC Cassiano, TA Tavella, KCP Tomaz, ... Antimicrobial agents and chemotherapy 64 (9), 10.1128/aac. 02041-19, 2020 | 15 | 2020 |
Best practices for docking-based virtual screening BJ Neves, M Mottin, JT Moreira-Filho, BK de Paula Sousa, SS Mendonca, ... Molecular docking for computer-aided drug design, 75-98, 2021 | 14 | 2021 |
Tetracyclines, a promise for neuropsychiatric disorders: from adjunctive therapy to the discovery of new targets for rational drug design in psychiatry AJM Chaves Filho, M Mottin, MVR Soares, PM Jucá, CH Andrade, ... Behavioural Pharmacology 32 (2&3), 123-141, 2021 | 11 | 2021 |
Computational and experimental approaches identify beta-blockers as potential SARS-CoV-2 spike inhibitors AC Puhl, M Mottin, CQ Sacramento, TA Tavella, GG Dias, ... ACS omega 7 (32), 27950-27958, 2022 | 10 | 2022 |
Rhodium-catalyzed carbonylation of allylaminoalcohols: Catalytic synthesis of N-(2-hydroxy-alkyl)-gamma-lactams and bicyclic oxazolidines RGR J. Limberger, M. Mottin, F.F. Nachtigall, E.E. Castellano Journal of Molecular Catalysis A: Chemical 294 (1), 82-92, 2008 | 10 | 2008 |