Synthesis, antitumor activity and in silico analyses of amino acid derivatives of artepillin C, drupanin and baccharin from green propolis DM Rodrigues, GB Portapilla, GM Silva, A Duarte, CG Rotta, CHTDP Da, ... Bioorganic & Medicinal Chemistry, 116372, 2021 | 15 | 2021 |
Revisiting the Proposition of Binding Pockets and Bioactive Poses for GSK-3β Allosteric Modulators Addressed to Neurodegenerative Diseases GM Silva, RS Borges, KLB Santos, LB Federico, IAG Francischini, ... International Journal of Molecular Sciences 22 (15), 8252, 2021 | 13 | 2021 |
Potential Colchicine Binding Site Inhibitors Unraveled by Virtual Screening, Molecular Dynamics and MM/PBSA LB Federico, GM Silva, SQ Gomes, IAG Francischini, MP Barcelos, ... Computers in Biology and Medicine, 104817, 2021 | 12 | 2021 |
Molecular Docking, Physicochemical Properties, Pharmacokinetics and Toxicity of Flavonoids Present in Euterpe Oleracea Martius. NKS de Oliveira, MRS Almeida, FMM Pontes, MP Barcelos, GM Silva, ... Current Computer-aided Drug Design, 2020 | 12 | 2020 |
Hierarchical Virtual Screening Based on Rocaglamide Derivatives to Discover New Potential Anti-Skin Cancer Agents IVF dos Santos, RS Borges, GM Silva, LR de Lima, RS Bastos, RS Ramos, ... Frontiers in Molecular Biosciences 9, 2022 | 10 | 2022 |
Identification of novel αβ-tubulin modulators with antiproliferative activity directed to cancer therapy using ligand and structure-based virtual screening LB Federico, GM Silva, A de Fraga Dias, F Figueiró, AMO Battastini, ... International Journal of Biological Macromolecules 165, 3040-3050, 2020 | 10 | 2020 |
Identification of known drugs as potential SARS-CoV-2 Mpro inhibitors using ligand-and structure-based virtual screening LB Federico, GM Silva, LI da Silva Hage-Melim, SQ Gomes, MP Barcelos, ... Future Medicinal Chemistry, 2021 | 8 | 2021 |
Allosteric Modulators of Potential Targets Related to Alzheimer's Disease: a Review GM Silva, MP Barcelos, JGC Poiani, LIS Hage‐Melim, CHTP da Silva ChemMedChem 14 (16), 1467-1483, 2019 | 6 | 2019 |
Lead Optimization in Drug Discovery MP Barcelos, SQ Gomes, LB Federico, IAG Francischini, LIS Hage-Melim, ... Research Topics in Bioactivity, Environment and Energy, 481-500, 2022 | 5 | 2022 |
Key aspects for achieving hits by virtual screening studies LB FEDERICO, GM SILVA, MP BARCELOS, IAG FRANCISCHINI, ... Functional Properties of Advanced Engineering Materials and Biomolecules, 2021 | 5 | 2021 |
In silico methods to predict relevant toxicological endpoints of bioactive substances GM SILVA, LB FEDERICO, VM ALVES, CHTP SILVA Functional Properties of Advanced Engineering Materials and Biomolecules, 2021 | 4 | 2021 |
Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web Tool for Triaging Compounds with Undesired Pharmacokinetics Profiles M Rath, J Wellnitz, HJ Martin, C Melo-Filho, JE Hochuli, GM Silva, ... Journal of Medicinal Chemistry, 2024 | 2 | 2024 |
Theoretical Study of Monoamine Oxidase B Inhibitors as Drug Candidates for Treatment of Parkinson’s Disease LR Souza, L Picanço, MFB Brito, MRS Almeida, BLB Marino, K Sousa, ... Central Nervous System Agents in Medicinal Chemistry (Formerly Current …, 2020 | 2 | 2020 |
Ligand-based virtual screening, molecular dynamics, and biological evaluation of repurposed drugs as inhibitors of Trypanosoma cruzi proteasome SQ Gomes, LB Federico, GM Silva, CD Lopes, S de Albuquerque, ... Journal of Biomolecular Structure and Dynamics, 1-13, 2023 | 1 | 2023 |
Structural Aspects of Organic Compounds as Proteasome Inhibitors Addressed to Several Diseases SQ Gomes, GM Silva, MP Barcelos, LIS Hage-Melim, ... Research Topics in Bioactivity, Environment and Energy, 545-567, 2022 | 1 | 2022 |
Planejamento computacional e avaliação biológica de inibidores alostéricos de glicogênio sintase cinase 3-β com interesse na doença de Alzheimer GM Silva Universidade de São Paulo, 0 | 1 | |
In Silico Design of Acetylcholinesterase and Glycogen Synthase Kinase-3ẞ Multi-target Inhibitors LC dos Santos Picanço, GM Silva, NKS de Oliveira, LR de Souza, ... Trends and Innovations in Energetic Sources, Functional Compounds and …, 2024 | | 2024 |
Discovery of Potential GSK-3β Allosteric Modulators for Alzheimer’s Disease GM Silva, VM Alves, SQ Gomes, JE Hochuli, E Muratov, A Tropsha, ... | | 2023 |
Novel Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web-Tool for Triaging Compounds with Undesired PK Profiles M Rath, J Wellnitz, HJ Martin, C Melo-Filho, J Hochuli, GM da Silva, ... | | 2023 |
Pharmacophore-based virtual screening from phytocannabinoids as antagonist r-CB1 LC Correia, JV Ferreira, HB de Lima, GM Silva, CHTP da Silva, ... Journal of Molecular Modeling 28 (9), 1-26, 2022 | | 2022 |