QSAR-based virtual screening: advances and applications in drug discovery BJ Neves, RC Braga, CC Melo-Filho, JT Moreira-Filho, EN Muratov, ... Frontiers in pharmacology 9, 1275, 2018 | 409 | 2018 |
Discovery of new anti-schistosomal hits by integration of QSAR-based virtual screening and high content screening BJ Neves, RF Dantas, MR Senger, CC Melo-Filho, WCG Valente, ... Journal of medicinal chemistry 59 (15), 7075-7088, 2016 | 78 | 2016 |
3D-QSAR approaches in drug design: perspectives to generate reliable CoMFA models. CC Melo-Filho, RC Braga, CH Andrade Current computer-aided drug design 10 (2), 148-159, 2014 | 74 | 2014 |
QSAR Modeling of SARS‐CoV Mpro Inhibitors Identifies Sufugolix, Cenicriviroc, Proglumetacin, and other Drugs as Candidates for Repurposing against SARS … VM Alves, T Bobrowski, CC Melo‐Filho, D Korn, S Auerbach, C Schmitt, ... Molecular Informatics 40 (1), 2000113, 2021 | 71 | 2021 |
QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni CC Melo-Filho, RF Dantas, RC Braga, BJ Neves, MR Senger, ... Journal of chemical information and modeling 56 (7), 1357-1372, 2016 | 53 | 2016 |
Learning from history: do not flatten the curve of antiviral research! T Bobrowski, CC Melo-Filho, D Korn, VM Alves, KI Popov, S Auerbach, ... Drug Discovery Today 25 (9), 1604-1613, 2020 | 35 | 2020 |
Computer-aided discovery of two novel chalcone-like compounds active and selective against Leishmania infantum MN Gomes, LM Alcântara, BJ Neves, CC Melo-Filho, LH Freitas-Junior, ... Bioorganic & medicinal chemistry letters 27 (11), 2459-2464, 2017 | 33 | 2017 |
In silico chemogenomics drug repositioning strategies for neglected tropical diseases CH Andrade, BJ Neves, CC Melo-Filho, J Rodrigues, DC Silva, RC Braga, ... Current Medicinal Chemistry 26 (23), 4355-4379, 2019 | 29 | 2019 |
Advances in methods for predicting phase I metabolism of polyphenols. CC Melo-Filho, RC Braga, CH Andrade Current drug metabolism 15 (1), 120-126, 2014 | 28 | 2014 |
Discovery of new potent hits against intracellular Trypanosoma cruzi by QSAR-based virtual screening CC Melo-Filho, RC Braga, EN Muratov, CH Franco, CB Moraes, ... European journal of medicinal chemistry 163, 649-659, 2019 | 25 | 2019 |
Efficacy of sertraline against Trypanosoma cruzi: an in vitro and in silico study DD Ferreira, JT Mesquita, TAC Silva, MM Romanelli, DGJ Batista, ... Journal of Venomous Animals and Toxins including Tropical Diseases 24, 30, 2018 | 24 | 2018 |
QSAR-driven design and discovery of novel compounds with antiplasmodial and transmission blocking activities MNN Lima, CC Melo-Filho, GC Cassiano, BJ Neves, VM Alves, RC Braga, ... Frontiers in Pharmacology 9, 146, 2018 | 24 | 2018 |
Computational models identify several FDA approved or experimental drugs as putative agents against SARS-CoV-2 T Bobrowski, VM Alves, CC Melo-Filho, D Korn, S Auerbach, C Schmitt, ... ChemRxiv, 2020 | 21 | 2020 |
Conserved coronavirus proteins as targets of broad-spectrum antivirals CC Melo-Filho, T Bobrowski, HJ Martin, Z Sessions, KI Popov, ... Antiviral Research 204, 105360, 2022 | 20 | 2022 |
Computer-aided identification of novel anti-paracoccidioidomycosis compounds LC Silva, BJ Neves, MN Gomes, CC Melo-Filho, CMA Soares, ... Future microbiology 13 (13), 1523-1535, 2018 | 18 | 2018 |
Allosteric binders of ACE2 are promising anti-SARS-CoV-2 agents JE Hochuli, S Jain, C Melo-Filho, ZL Sessions, T Bobrowski, J Choe, ... ACS Pharmacology & Translational Science 5 (7), 468-478, 2022 | 9 | 2022 |
Computational drug discovery for the Zika virus M Mottin, JVVB Borba, CC Melo-Filho, BJ Neves, E Muratov, PHM Torres, ... Brazilian Journal of Pharmaceutical Sciences 54 (spe), e01002, 2018 | 6 | 2018 |
Compact walks: Taming knowledge-graph embeddings with domain-and task-specific pathways PY Hou, DR Korn, CC Melo-Filho, DR Wright, A Tropsha, R Chirkova Proceedings of the 2022 International Conference on Management of Data, 458-469, 2022 | 4 | 2022 |
Explaining drug-discovery hypotheses using knowledge-graph patterns K Schatz, C Melo-Filho, A Tropsha, R Chirkova 2021 IEEE International Conference on Big Data (Big Data), 3709-3716, 2021 | 4 | 2021 |
QSAR-based virtual screening: advances and applications in drug discovery. Front Pharmacol. 2018; 9: 1275 BJ Neves, RC Braga, CC Melo-Filho, JT Moreira-Filho, EN Muratov, ... | 3 | 2018 |