| 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 | 562 | 2018 |
| Chalcone derivatives: promising starting points for drug design MN Gomes, EN Muratov, M Pereira, JC Peixoto, LP Rosseto, PVL Cravo, ... Molecules 22 (8), 1210, 2017 | 466 | 2017 |
| In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery LR de Souza Neto, JT Moreira-Filho, BJ Neves, RLBR Maidana, ... Frontiers in chemistry 8, 93, 2020 | 282 | 2020 |
| QSAR-driven design, synthesis and discovery of potent chalcone derivatives with antitubercular activity MN Gomes, RC Braga, EM Grzelak, BJ Neves, E Muratov, R Ma, LL Klein, ... European journal of medicinal chemistry 137, 126-138, 2017 | 137 | 2017 |
| 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 | 114 | 2020 |
| Natural products as leads in schistosome drug discovery BJ Neves, CH Andrade, PVL Cravo Molecules 20 (2), 1872-1903, 2015 | 105 | 2015 |
| 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 | 91 | 2016 |
| Deep Learning-driven research for drug discovery: Tackling Malaria BJ Neves, RC Braga, VM Alves, MNN Lima, GC Cassiano, EN Muratov, ... PLoS computational biology 16 (2), e1007025, 2020 | 76 | 2020 |
| In Silico Repositioning-Chemogenomics Strategy Identifies New Drugs with Potential Activity against Multiple Life Stages of Schistosoma mansoni BJ Neves, RC Braga, JCB Bezerra, PVL Cravo, CH Andrade PLoS Neglected Tropical Diseases 9 (1), e3435, 2015 | 68 | 2015 |
| 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 | 58 | 2016 |
| Illustrating and homology modeling the proteins of the Zika virus S Ekins, J Liebler, BJ Neves, WG Lewis, M Coffee, R Bienstock, ... F1000Research 5, 275, 2016 | 52 | 2016 |
| BeeToxAI: An artificial intelligence-based web app to assess acute toxicity of chemicals to honey bees JT Moreira-Filho, RC Braga, JM Lemos, VM Alves, JVVB Borba, WS Costa, ... Artificial Intelligence in the Life Sciences 1, 100013, 2021 | 51 | 2021 |
| Analogues of Marine Guanidine Alkaloids Are in Vitro Effective against Trypanosoma cruzi and Selectively Eliminate Leishmania (L.) infantum Intracellular … LF Martins, JT Mesquita, EG Pinto, TA Costa-Silva, SET Borborema, ... Journal of natural products 79 (9), 2202-2210, 2016 | 48 | 2016 |
| Antitrypanosomal activity and evaluation of the mechanism of action of dehydrodieugenol isolated from Nectandra leucantha (Lauraceae) and its methylated derivative against … SS Grecco, TA Costa-Silva, G Jerz, FS de Sousa, GAA Conserva, ... Phytomedicine 24, 62-67, 2017 | 41 | 2017 |
| 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 | 40 | 2017 |
| In Vitro, In Silico, and In Vivo Analyses of Novel Aromatic Amidines against Trypanosoma cruzi CC Santos, JR Lionel, RB Peres, MM Batista, PB da Silva, GM de Oliveira, ... Antimicrobial Agents and Chemotherapy 62 (2), 10.1128/aac. 02205-17, 2018 | 39 | 2018 |
| Structural insights into a novel anticancer sulfonamide chalcone JMF Custodio, LJ Michelini, MRC de Castro, WF Vaz, BJ Neves, ... New Journal of Chemistry 42 (5), 3426-3434, 2018 | 35 | 2018 |
| Schistosomiasis drug discovery in the era of automation and artificial intelligence JT Moreira-Filho, AC Silva, RF Dantas, BF Gomes, LR Souza Neto, ... Frontiers in immunology 12, 642383, 2021 | 34 | 2021 |
| Dealing with frequent hitters in drug discovery: a multidisciplinary view on the issue of filtering compounds on biological screenings RF Dantas, TCS Evangelista, BJ Neves, MR Senger, CH Andrade, ... Expert Opinion on Drug Discovery 14 (12), 1269-1282, 2019 | 33 | 2019 |
| 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 | 33 | 2019 |