Rafaela Salgado Ferreira (Rafaela S Ferreira)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 31

Top Topics

Molecular Dynamics Simulations

Trypanosoma Cruzi

Structure Activity Relationship

Top Venues

Journal of chemical information and modeling

Molecules (Basel, Switzerland)

Expert opinion on drug discovery

Journal of biomolecular structure & dynamics

This page only lists publications with an associated author ORCID identifier.

Publications

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, Vinícius Gonçalves Maltarollo
Aminopyrimidine Derivatives as Multiflavivirus Antiviral Compounds Identified from a Consensus Virtual Screening Approach. Journal of chemical information and modeling 64 (2) (2024)
Silvane Maria Fonseca Murta, Pedro Augusto Lemos Santana, Thibault Joseph William Jacques Dit Lapierre, André Berndt Penteado, Marissa El Hajje, Thabata Corazza Navarro Vinha, Daniel Barbosa Liarte, Mariana Laureano de Souza, Gustavo Henrique Goulart Trossini, Celso de Oliveira Rezende Júnior, Renata Barbosa de Oliveira, Rafaela Salgado Ferreira
New drug discovery strategies for the treatment of benznidazole-resistance in Trypanosoma cruzi , the causative agent of Chagas disease. Expert opinion on drug discovery 19 (6) (2024)
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, Vinícius Gonçalves Maltarollo
Aminopyrimidine Derivatives as Multiflavivirus Antiviral Compounds Identified from a Consensus Virtual Screening Approach. Journal of chemical information and modeling 64 (2) (2024)
Juan Pablo Cerutti, Lucas Abreu Diniz, Viviane Corrêa Santos, Salomé Catalina Vilchez Larrea, Guillermo Daniel Alonso, Rafaela Salgado Ferreira, Wim Dehaen, Mario Alfredo Quevedo
Structure-Aided Computational Design of Triazole-Based Targeted Covalent Inhibitors of Cruzipain. Molecules (Basel, Switzerland) 29 (17) (2024)
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, Vinícius Gonçalves Maltarollo
Aminopyrimidine Derivatives as Multiflavivirus Antiviral Compounds Identified from a Consensus Virtual Screening Approach. Journal of chemical information and modeling (2024)
Silvane Maria Fonseca Murta, Pedro Augusto Lemos Santana, Thibault Joseph William Jacques Dit Lapierre, André Berndt Penteado, Marissa El Hajje, Thabata Corazza Navarro Vinha, Daniel Barbosa Liarte, Mariana Laureano de Souza, Gustavo Henrique Goulart Trossini, Celso de Oliveira Rezende Júnior, Renata Barbosa de Oliveira, Rafaela Salgado Ferreira
New drug discovery strategies for the treatment of benznidazole-resistance in Trypanosoma cruzi , the causative agent of Chagas disease. Expert opinion on drug discovery 19 (6) (2024)
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, Vinícius Gonçalves Maltarollo
Aminopyrimidine Derivatives as Multiflavivirus Antiviral Compounds Identified from a Consensus Virtual Screening Approach. Journal of chemical information and modeling 64 (2) (2024)
Silvane Maria Fonseca Murta, Pedro Augusto Lemos Santana, Thibault Joseph William Jacques Dit Lapierre, André Berndt Penteado, Marissa El Hajje, Thabata Corazza Navarro Vinha, Daniel Barbosa Liarte, Mariana Laureano de Souza, Gustavo Henrique Goulart Trossini, Celso de Oliveira Rezende Júnior, Renata Barbosa de Oliveira, Rafaela Salgado Ferreira
New drug discovery strategies for the treatment of benznidazole-resistance in Trypanosoma cruzi , the causative agent of Chagas disease. Expert opinion on drug discovery (2024)
Luan Carvalho Martins, Renata Barbosa de Oliveira, Jeronimo Lameira, Rafaela Salgado Ferreira
Experimental and Computational Study of Aryl-thiosemicarbazones Inhibiting Cruzain Reveals Reversible Inhibition and a Stepwise Mechanism. Journal of chemical information and modeling (2023)
Vinícius Gonçalves Maltarollo, Elany Barbosa da Silva, Thales Kronenberger, Marina Mol Sena Andrade, Gabriel V de Lima Marques, Nereu J Cândido Oliveira, Lucianna H Santos, Celso de Oliveira Rezende Júnior, Ana C Cassiano Martinho, Danielle Skinner, Pavla Fajtová, Thaís H M Fernandes, Eduardo da Silveira Dos Santos, Poliana A Rodrigues Gazolla, Ana P Martins de Souza, Milene Lopes da Silva, Fabíola S Dos Santos, Stefânia N Lavorato, Ana C Oliveira Bretas, Diogo Teixeira Carvalho, Lucas Lopardi Franco, Stephanie Luedtke, Miriam A Giardini, Antti Poso, Luiz C Dias, Larissa M Podust, Ricardo J Alves, James McKerrow, Saulo F Andrade, Róbson R Teixeira, Jair L Siqueira-Neto, Anthony O'Donoghue, Renata Barbosa de Oliveira, Rafaela Salgado Ferreira
Structure-based discovery of thiosemicarbazones as SARS-CoV-2 main protease inhibitors. Future medicinal chemistry (2023)
Luan Carvalho Martins, Renata Barbosa de Oliveira, Jeronimo Lameira, Rafaela Salgado Ferreira
Experimental and Computational Study of Aryl-thiosemicarbazones Inhibiting Cruzain Reveals Reversible Inhibition and a Stepwise Mechanism. Journal of chemical information and modeling 63 (5) (2023)
Joyce C Oliveira, Renato L de Carvalho, Hugo G S Sampaio, João Honorato de Araujo-Neto, Javier A Ellena, Felipe T Martins, João V M Pereira, Pedro M S Costa, Claudia Pessoa, Rafaela Salgado Ferreira, Maria H Araújo, Claus Jacob, Eufrânio N da Silva Júnior
It Takes Two to Tango, Part II: Synthesis of A-Ring Functionalised Quinones Containing Two Redox-Active Centres with Antitumour Activities. Molecules (Basel, Switzerland) 28 (5) (2023)
Luan Carvalho Martins, Renata Barbosa de Oliveira, Jeronimo Lameira, Rafaela Salgado Ferreira
Experimental and Computational Study of Aryl-thiosemicarbazones Inhibiting Cruzain Reveals Reversible Inhibition and a Stepwise Mechanism. Journal of chemical information and modeling 63 (5) (2023)
Joyce C Oliveira, Renato L de Carvalho, Hugo G S Sampaio, João Honorato de Araujo-Neto, Javier A Ellena, Felipe T Martins, João V M Pereira, Pedro M S Costa, Claudia Pessoa, Rafaela Salgado Ferreira, Maria H Araújo, Claus Jacob, Eufrânio N da Silva Júnior
It Takes Two to Tango, Part II: Synthesis of A-Ring Functionalised Quinones Containing Two Redox-Active Centres with Antitumour Activities. Molecules (Basel, Switzerland) 28 (5) (2023)
Lucianna Helene Santos, Rafael E O Rocha, Diego L Dias, Beatriz M R M Ribeiro, Mateus Sá Magalhães Serafim, Jonatas Santos Abrahao, Rafaela Salgado Ferreira
Evaluating Known Zika Virus NS2B-NS3 Protease Inhibitor Scaffolds via In Silico Screening and Biochemical Assays. Pharmaceuticals (Basel, Switzerland) 16 (9) (2023)
Mariana Laureano de Souza, Thibault Joseph William Jacques Dit Lapierre, Gabriel Vitor de Lima Marques, Witor Ribeiro Ferraz, André Berndt Penteado, Gustavo Henrique Goulart Trossini, Silvane Maria Fonseca Murta, Renata Barbosa de Oliveira, Celso de Oliveira Rezende, Rafaela Salgado Ferreira
Molecular targets for Chagas disease: validation, challenges and lead compounds for widely exploited targets. Expert opinion on therapeutic targets (2023)
Joyce C Oliveira, Renato L de Carvalho, Hugo G S Sampaio, João Honorato de Araujo-Neto, Javier A Ellena, Felipe T Martins, João V M Pereira, Pedro M S Costa, Claudia Pessoa, Rafaela Salgado Ferreira, Maria H Araújo, Claus Jacob, Eufrânio N da Silva Júnior
It Takes Two to Tango, Part II: Synthesis of A-Ring Functionalised Quinones Containing Two Redox-Active Centres with Antitumour Activities. Molecules (Basel, Switzerland) 28 (5) (2023)
Viviane Corrêa Santos, Rafaela Salgado Ferreira
Computational approaches towards the discovery and optimisation of cruzain inhibitors. Memorias do Instituto Oswaldo Cruz 117 (2022)
Lucianna H 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 Luiz 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
Structure-based identification of naphthoquinones and derivatives as novel inhibitors of main protease Mpro and papain-like protease PLpro of SARS-CoV-2. bioRxiv : the preprint server for biology (2022)
Lucianna H Santos, Thales Kronenberger, Renata G Almeida, Elany Barbosa da 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 Lage Siqueira-Neto, Anthony J O'Donoghue, Eufrânio N da Silva Júnior, Rafaela Salgado Ferreira
Structure-Based Identification of Naphthoquinones and Derivatives as Novel Inhibitors of Main Protease M pro and Papain-like Protease PL pro of SARS-CoV-2. Journal of chemical information and modeling (2022)
Luan Carvalho Martins, Elio A Cino, Rafaela Salgado Ferreira
PyAutoFEP: An Automated Free Energy Perturbation Workflow for GROMACS Integrating Enhanced Sampling Methods. Journal of chemical theory and computation 17 (7) (2021)
Elany Barbosa da Silva, Débora A Rocha, Isadora S Fortes, Wenqian Yang, Ludovica Monti, Jair L Siqueira-Neto, Conor R Caffrey, James H McKerrow, Saulo Fernandes de Andrade, Rafaela Salgado Ferreira
Structure-Based Optimization of Quinazolines as Cruzain and TbrCATL Inhibitors. Journal of medicinal chemistry 64 (17) (2021)
Viviane Corrêa Santos, Antonio Edson Rocha Oliveira, Augusto César Broilo Campos, João Luís Reis-Cunha, Daniella Castanheira Bartholomeu, Santuza Maria Ribeiro Teixeira, Ana Paula Cabral de Araujo Lima, Rafaela Salgado Ferreira
The gene repertoire of the main cysteine protease of Trypanosoma cruzi, cruzipain, reveals four sub-types with distinct active sites. Scientific reports 11 (1) (2021)
Lucianna Helene Santos, Ernesto R Caffarena, Rafaela Salgado Ferreira
pH and non-covalent ligand binding modulate Zika virus NS2B/NS3 protease binding site residues: Discoveries from MD and constant pH MD simulations. Journal of biomolecular structure & dynamics (2021)
Fábio Mambelli, Bruno de Paula Oliveira Santos, Suellen B Morais, Enrico Giovanelli Toccani Gimenez, Duana C Dos S Astoni, Amanda D Braga, Rafaela Salgado Ferreira, Flávio Almeida Amaral, Mariana T Q de Magalhães, Sergio Costa Oliveira
S. mansoni SmKI-1 Kunitz-domain: Leucine point mutation at P1 site generates enhanced neutrophil elastase inhibitory activity. PLoS neglected tropical diseases 15 (1) (2021)
Núbia Prates Toman, Anna Sophia Kamenik, Lucianna Helene Santos, Florian Hofer, Klaus Roman Liedl, Rafaela Salgado Ferreira
Profiling selectivity of chagasin mutants towards cysteine proteases cruzain or cathepsin L through molecular dynamics simulations. Journal of biomolecular structure & dynamics 39 (16) (2020)
Glaécia An Pereira, Lucianna H Santos, Steven C Wang, Luan C Martins, Filipe S Villela, Weiting Liao, Marco A Dessoy, Luiz C Dias, Adriano D Andricopulo, Mariana Af Costa, Ronaldo Ap Nagem, Conor R Caffrey, Klaus R Liedl, Ernesto R Caffarena, Rafaela Salgado Ferreira
Benzimidazole inhibitors of the major cysteine protease of Trypanosoma brucei. Future medicinal chemistry 11 (13) (2020)
Mariana L 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
Discovery of Potent, Reversible, and Competitive Cruzain Inhibitors with Trypanocidal Activity: A Structure-Based Drug Design Approach. Journal of chemical information and modeling 60 (2) (2019)
Lucianna H Santos, Birgit J Waldner, Julian E Fuchs, Glaécia A N Pereira, Klaus Roman Liedl, Ernesto R Caffarena, Rafaela Salgado Ferreira
Understanding Structure-Activity Relationships for Trypanosomal Cysteine Protease Inhibitors by Simulations and Free Energy Calculations. Journal of chemical information and modeling 59 (1) (2018)
Luan Carvalho Martins, Pedro Henrique Monteiro Torres, Renata Barbosa de Oliveira, Pedro Geraldo Pascutti, Elio A Cino, Rafaela Salgado Ferreira
Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations. Journal of computer-aided molecular design 32 (5) (2018)
Suellen B Morais, Barbara C Figueiredo, Natan R G Assis, Débora Moreira Alvarenga, Mariana T Q de Magalhães, Rafaela Salgado Ferreira, Angélica Thomas Vieira, Gustavo Batista Menezes, Sergio Costa Oliveira
Schistosoma mansoni SmKI-1 serine protease inhibitor binds to elastase and impairs neutrophil function and inflammation. PLoS pathogens 14 (2) (2018)