Rafaela Salgado Ferreira

11 papers Journal 11
YearRankTypeTitle / Venue / Authors
2025 J jnl
Structure-Based Discovery of Non-Covalent Triazole-Based Cruzipain Inhibitors with Improved Bioactivity Translation.
J. Chem. Inf. Model.
Juan Pablo Cerutti, Juan Ignacio Estrada Canepa, Lucas Abreu Diniz, Salomé Catalina Vilchez Larrea, Viviane Corrêa Santos, Guillermo Daniel Alonso, Rafaela Salgado Ferreira, Wim Dehaen, Mario Alfredo Quevedo
2024 J jnl
Aminopyrimidine Derivatives as Multiflavivirus Antiviral Compounds Identified from a Consensus Virtual Screening Approach.
J. Chem. Inf. Model.
Mateus Sá Magalhães Serafim, Thales Kronenberger, Rafael Eduardo Oliveira Rocha, Amanda Del Rio Abreu Rosa, Thaysa Lara Gonçalves Mello, Antti Poso, Rafaela Salgado Ferreira, Jonatas Santos Abrahão, Erna Geessien Kroon, Bruno Eduardo Fernandes Mota, Vinicius Gonçalves Maltarollo
2023 J jnl
Experimental and Computational Study of Aryl-thiosemicarbazones Inhibiting Cruzain Reveals Reversible Inhibition and a Stepwise Mechanism.
J. Chem. Inf. Model.
Luan Carvalho Martins, Renata Barbosa de Oliveira, Jerônimo Lameira, Rafaela Salgado Ferreira
2022 J jnl
Characterization of an Allosteric Pocket in Zika Virus NS2B-NS3 Protease.
J. Chem. Inf. Model.
Naiá Porã Santos, Lucianna Helene Santos, Mariana Torquato Quezado de Magalhães, Jian Lei, Rolf Hilgenfeld, Rafaela Salgado Ferreira, Lucas Bleicher
2022 J jnl
Prioritizing Virtual Screening with Interpretable Interaction Fingerprints.
J. Chem. Inf. Model.
Alexandre V. Fassio, Laura Shub, Luca Ponzoni, Jessica McKinley, Matthew J. O'Meara, Rafaela Salgado Ferreira, Michael J. Keiser, Raquel Cardoso de Melo Minardi
2022 J jnl
Structure-Based Identification of Naphthoquinones and Derivatives as Novel Inhibitors of Main Protease M
J. Chem. Inf. Model.
Lucianna Helene Santos, Thales Kronenberger, Renata G. Almeida, Elany B. Silva, Rafael E. O. Rocha, Joyce C. Oliveira, Luiza V. Barreto, Danielle Skinner, Pavla Fajtová, Miriam A. Giardini, Brendon Woodworth, Conner Bardine, André L. Lourenço, Charles S. Craik, Antti Poso, Larissa M. Podust, James H. McKerrow, Jair L. Siqueira-Neto, Anthony J. O'Donoghue, Eufrânio N. da Silva Júnior, Rafaela Salgado Ferreira
2020 J jnl
Discovery of Potent, Reversible, and Competitive Cruzain Inhibitors with Trypanocidal Activity: A Structure-Based Drug Design Approach.
J. Chem. Inf. Model.
Mariana Laureano de Souza, Celso de Oliveira Rezende Junior, Rafaela Salgado Ferreira, Rocio Marisol Espinoza Chávez, Leonardo L. G. Ferreira, Brian W. Slafer, Luma G. Magalhães, Renata Krogh, Glaucius Oliva, Fabio Cardoso Cruz, Luiz Carlos Dias, Adriano Defini Andricopulo
2020 J jnl
nAPOLI: A Graph-Based Strategy to Detect and Visualize Conserved Protein-Ligand Interactions in Large-Scale.
IEEE ACM Trans. Comput. Biol. Bioinform.
Alexandre V. Fassio, Lucianna Helene Santos, Sabrina de Azevedo Silveira, Rafaela Salgado Ferreira, Raquel Cardoso de Melo Minardi
2019 J jnl
Understanding Structure-Activity Relationships for Trypanosomal Cysteine Protease Inhibitors by Simulations and Free Energy Calculations.
J. Chem. Inf. Model.
Lucianna Helene Santos, Birgit J. Waldner, Julian E. Fuchs, Glaécia A. N. Pereira, Klaus R. Liedl, Ernesto Raúl Caffarena, Rafaela Salgado Ferreira
2018 J jnl
Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations.
J. Comput. Aided Mol. Des.
Luan Carvalho Martins, Pedro Henrique Monteiro Torres, Renata Barbosa de Oliveira, Pedro Geraldo Pascutti, Elio A. Cino, Rafaela Salgado Ferreira
2016 J jnl
Unraveling the distinctive features of hemorrhagic and non-hemorrhagic snake venom metalloproteinases using molecular simulations.
J. Comput. Aided Mol. Des.
Raoni Almeida de Souza, Natalia Díaz, Ronaldo Alves Pinto Nagem, Rafaela Salgado Ferreira, Dimas Suárez