Vinícius Gonçalves Maltarollo (Vinícius G Maltarollo, Vinicius G Maltarollo, Vinicius Gonçalves Maltarollo)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 32

Top Topics

Molecular Docking

Machine Learning

Trypanosoma Cruzi

Methicillin Resistant Staphylococcus Aureus

Top Venues

Journal of chemical information and modeling

Future medicinal chemistry

Pharmaceuticals (Basel, Switzerland)

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)
Philipe de Olveira Fernandes, Anna Letícia Teotonio Dias, Valtair Severino Dos Santos Júnior, Mateus Sá Magalhães Serafim, Yamara Viana Sousa, Gustavo Claro Monteiro, Isabel Duarte Coutinho, Marilia Valli, Marina Mol Sena Andrade Verzola, Flaviano Melo Ottoni, Rodrigo Maia de Pádua, Fernando Bombarda Oda, André Gonzaga Dos Santos, Adriano Defini Andricopulo, Vanderlan da Silva Bolzani, Bruno Eduardo Fernandes Mota, Ricardo José Alves, Renata Barbosa de Oliveira, Thales Kronenberger, Vinícius Gonçalves Maltarollo
Machine Learning-Based Virtual Screening of Antibacterial Agents against Methicillin-Susceptible and Resistant Staphylococcus aureus . Journal of chemical information and modeling 64 (6) (2024)
Brunno A Salvatti, Marcelo A Chagas, Philipe de Olveira Fernandes, Yan F X Ladeira, Aline S Bozzi, Veronica S Valadares, Ana Paula Valente, Amanda S de Miranda, Willian R Rocha, Vinícius Gonçalves Maltarollo, Adolfo Henrique Moraes
Understanding the Enzyme ( S )-Norcoclaurine Synthase Promiscuity to Aldehydes and Ketones. Journal of chemical information and modeling (2024)
Daniela Quadros de Azevedo, Beatriz Mattos Campioni, Felipe Augusto Pedroz Lima, José Luis Medina-Franco, Rachel Oliveira Castilho, Vinícius Gonçalves Maltarollo
A critical assessment of bioactive compounds databases. Future medicinal chemistry 16 (10) (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)
Daniela Quadros de Azevedo, Beatriz Mattos Campioni, Felipe Augusto Pedroz Lima, José Luis Medina-Franco, Rachel Oliveira Castilho, Vinícius Gonçalves Maltarollo
A critical assessment of bioactive compounds databases. Future medicinal chemistry 16 (10) (2024)
Philipe de Olveira Fernandes, Anna Letícia Teotonio Dias, Valtair Severino Dos Santos Júnior, Mateus Sá Magalhães Serafim, Yamara Viana Sousa, Gustavo Claro Monteiro, Isabel Duarte Coutinho, Marilia Valli, Marina Mol Sena Andrade Verzola, Flaviano Melo Ottoni, Rodrigo Maia de Pádua, Fernando Bombarda Oda, André Gonzaga Dos Santos, Adriano Defini Andricopulo, Vanderlan da Silva Bolzani, Bruno Eduardo Fernandes Mota, Ricardo José Alves, Renata Barbosa de Oliveira, Thales Kronenberger, Vinícius Gonçalves Maltarollo
Machine Learning-Based Virtual Screening of Antibacterial Agents against Methicillin-Susceptible and Resistant Staphylococcus aureus . Journal of chemical information and modeling (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)
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)
Brunno A Salvatti, Marcelo A Chagas, Philipe de Olveira Fernandes, Yan F X Ladeira, Aline S Bozzi, Veronica S Valadares, Ana Paula Valente, Amanda S de Miranda, Willian R Rocha, Vinícius Gonçalves Maltarollo, Adolfo Henrique Moraes
Understanding the Enzyme ( S )-Norcoclaurine Synthase Promiscuity to Aldehydes and Ketones. Journal of chemical information and modeling 64 (11) (2024)
Daniela Quadros de Azevedo, Beatriz Mattos Campioni, Felipe Augusto Pedroz Lima, José Luis Medina-Franco, Rachel Oliveira Castilho, Vinícius Gonçalves Maltarollo
A critical assessment of bioactive compounds databases. Future medicinal chemistry 16 (10) (2024)
Philipe de Olveira Fernandes, Anna Letícia Teotonio Dias, Valtair Severino Dos Santos Júnior, Mateus Sá Magalhães Serafim, Yamara Viana Sousa, Gustavo Claro Monteiro, Isabel Duarte Coutinho, Marilia Valli, Marina Mol Sena Andrade Verzola, Flaviano Melo Ottoni, Rodrigo Maia de Pádua, Fernando Bombarda Oda, André Gonzaga Dos Santos, Adriano Defini Andricopulo, Vanderlan da Silva Bolzani, Bruno Eduardo Fernandes Mota, Ricardo José Alves, Renata Barbosa de Oliveira, Thales Kronenberger, Vinícius Gonçalves Maltarollo
Machine Learning-Based Virtual Screening of Antibacterial Agents against Methicillin-Susceptible and Resistant Staphylococcus aureus . Journal of chemical information and modeling 64 (6) (2024)
Daniela Quadros de Azevedo, Beatriz Mattos Campioni, Felipe Augusto Pedroz Lima, José Luis Medina-Franco, Rachel Oliveira Castilho, Vinícius Gonçalves Maltarollo
A critical assessment of bioactive compounds databases. Future medicinal chemistry 16 (10) (2024)
Philipe de Olveira Fernandes, Anna Letícia Teotonio Dias, Valtair Severino Dos Santos Júnior, Mateus Sá Magalhães Serafim, Yamara Viana Sousa, Gustavo Claro Monteiro, Isabel Duarte Coutinho, Marilia Valli, Marina Mol Sena Andrade Verzola, Flaviano Melo Ottoni, Rodrigo Maia de Pádua, Fernando Bombarda Oda, André Gonzaga Dos Santos, Adriano Defini Andricopulo, Vanderlan da Silva Bolzani, Bruno Eduardo Fernandes Mota, Ricardo José Alves, Renata Barbosa de Oliveira, Thales Kronenberger, Vinícius Gonçalves Maltarollo
Machine Learning-Based Virtual Screening of Antibacterial Agents against Methicillin-Susceptible and Resistant Staphylococcus aureus . Journal of chemical information and modeling 64 (6) (2024)
Nereu Junio Cândido Oliveira, Valtair Severino Dos Santos Júnior, Isabella Campolina Pierotte, Victor Augusto Teixeira Leocádio, Luiz Felipe de Andrade Santana, Gabriel Vitor de Lima Marques, Ícaro Ferrari Protti, Saulo Fehelberg Pinto Braga, Markus Kohlhoff, Túlio Resende Freitas, Adriano de Paula Sabino, Thales Kronenberger, José Eduardo Gonçalves, Susana Johann, Daniel A Santos, Isabela da Costa César, Vinícius Gonçalves Maltarollo, Renata Barbosa de Oliveira
Discovery of Lead 2-Thiazolylhydrazones with Broad-Spectrum and Potent Antifungal Activity. Journal of medicinal chemistry (2023)
Henrique Barbosa, Gabriel Zarzana Espinoza, Maiara Amaral, Erica Valadares de Castro Levatti, Mariana Babberg Abiuzi, Gabriel Correa Veríssimo, Philipe de Oliveira Fernandes, Vinícius Gonçalves Maltarollo, Andre Gustavo Tempone, Kathia Maria Honorio, João Henrique Ghilardi Lago
Andrographolide: A Diterpenoid from Cymbopogon schoenanthus Identified as a New Hit Compound against Trypanosoma cruzi Using Machine Learning and Experimental Approaches. Journal of chemical information and modeling 64 (7) (2023)
Glaucio Monteiro Ferreira, Thales Kronenberger, Vinícius Gonçalves Maltarollo, Antti Poso, Fernando de Moura Gatti, Vitor Medeiros Almeida, Sandro Roberto Marana, Carla Duque Lopes, Daiane Yukie Tezuka, Sérgio de Albuquerque, Flavio da Silva Emery, Gustavo Henrique Goulart Trossini
Trypanosoma cruzi Sirtuin 2 as a Relevant Druggable Target: New Inhibitors Developed by Computer-Aided Drug Design. Pharmaceuticals (Basel, Switzerland) 16 (3) (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)
Henrique Barbosa, Gabriel Zarzana Espinoza, Maiara Amaral, Erica Valadares de Castro Levatti, Mariana Babberg Abiuzi, Gabriel Correa Veríssimo, Philipe de Oliveira Fernandes, Vinícius Gonçalves Maltarollo, Andre Gustavo Tempone, Kathia Maria Honorio, João Henrique Ghilardi Lago
Andrographolide: A Diterpenoid from Cymbopogon schoenanthus Identified as a New Hit Compound against Trypanosoma cruzi Using Machine Learning and Experimental Approaches. Journal of chemical information and modeling (2023)
Glaucio Monteiro Ferreira, Thales Kronenberger, Vinícius Gonçalves Maltarollo, Antti Poso, Fernando de Moura Gatti, Vitor Medeiros Almeida, Sandro Roberto Marana, Carla Duque Lopes, Daiane Yukie Tezuka, Sérgio de Albuquerque, Flavio da Silva Emery, Gustavo Henrique Goulart Trossini
Trypanosoma cruzi Sirtuin 2 as a Relevant Druggable Target: New Inhibitors Developed by Computer-Aided Drug Design. Pharmaceuticals (Basel, Switzerland) 16 (3) (2023)
Henrique Barbosa, Gabriel Zarzana Espinoza, Maiara Amaral, Erica Valadares de Castro Levatti, Mariana Babberg Abiuzi, Gabriel Correa Veríssimo, Philipe de Oliveira Fernandes, Vinícius Gonçalves Maltarollo, Andre Gustavo Tempone, Kathia Maria Honorio, João Henrique Ghilardi Lago
Andrographolide: A Diterpenoid from Cymbopogon schoenanthus Identified as a New Hit Compound against Trypanosoma cruzi Using Machine Learning and Experimental Approaches. Journal of chemical information and modeling 64 (7) (2023)
Henrique Barbosa, Gabriel Zarzana Espinoza, Maiara Amaral, Erica Valadares de Castro Levatti, Mariana Babberg Abiuzi, Gabriel Correa Veríssimo, Philipe de Oliveira Fernandes, Vinícius Gonçalves Maltarollo, Andre Gustavo Tempone, Kathia Maria Honorio, João Henrique Ghilardi Lago
Andrographolide: A Diterpenoid from Cymbopogon schoenanthus Identified as a New Hit Compound against Trypanosoma cruzi Using Machine Learning and Experimental Approaches. Journal of chemical information and modeling 64 (7) (2023)
Gabriel Corrêa Veríssimo, Simone Queiroz Pantaleão, Philipe de Olveira Fernandes, Jadson Castro Gertrudes, Thales Kronenberger, Kathia Maria Honorio, Vinícius Gonçalves Maltarollo
MASSA Algorithm: an automated rational sampling of training and test subsets for QSAR modeling. Journal of computer-aided molecular design (2023)
Glaucio Monteiro Ferreira, Thales Kronenberger, Vinícius Gonçalves Maltarollo, Antti Poso, Fernando de Moura Gatti, Vitor Medeiros Almeida, Sandro Roberto Marana, Carla Duque Lopes, Daiane Yukie Tezuka, Sérgio de Albuquerque, Flavio da Silva Emery, Gustavo Henrique Goulart Trossini
Trypanosoma cruzi Sirtuin 2 as a Relevant Druggable Target: New Inhibitors Developed by Computer-Aided Drug Design. Pharmaceuticals (Basel, Switzerland) 16 (3) (2023)
Gabriel Corrêa Veríssimo, Valtair Severino Dos Santos Júnior, Ingrid Ariela do Rosário de Almeida, Marina Sant'Anna Mitraud Ruas, Lukas Galuppo Coutinho, Renata Barbosa de Oliveira, Ricardo José Alves, Vinícius Gonçalves Maltarollo
The Brazilian compound library (BraCoLi) database: a repository of chemical and biological information for drug design. Molecular diversity 26 (6) (2022)
Ícaro F Protti, Daniel R Rodrigues, Sofia K Fonseca, Ricardo J Alves, Renata B de Oliveira, Vinícius Gonçalves Maltarollo
Do Drug-likeness Rules Apply to Oral Prodrugs? ChemMedChem 16 (9) (2021)
Simone Q Pantaleão, Philipe O Fernandes, José Eduardo Gonçalves, Vinícius Gonçalves Maltarollo, Kathia Maria Honorio
Recent Advances in the Prediction of Pharmacokinetics Properties in Drug Design Studies: A Review. ChemMedChem (2021)
Philipe de Olveira Fernandes, Diego Magno Martins, Aline de Souza Bozzi, João Paulo A Martins, Adolfo Henrique de Moraes, Vinícius Gonçalves Maltarollo
Molecular insights on ABL kinase activation using tree-based machine learning models and molecular docking. Molecular diversity 25 (3) (2021)
Thales Kronenberger, Mateus Sá Magalhães Serafim, Arun Kumar Tonduru, Vinícius Gonçalves Maltarollo, Antti Poso
Ligand Accessibility Insights to the Dengue Virus NS3-NS2B Protease Assessed by Long-Timescale Molecular Dynamics Simulations. ChemMedChem 16 (16) (2021)
Sheila C Araujo, Vinícius Gonçalves Maltarollo, Michell de Oliveira Almeida, Leonardo Luiz Gomes Ferreira, Adriano D Andricopulo, Kathia Maria Honorio
Structure-Based Virtual Screening, Molecular Dynamics and Binding Free Energy Calculations of Hit Candidates as ALK-5 Inhibitors. Molecules (Basel, Switzerland) 25 (2) (2020)
Thales Kronenberger, Philipe de Olveira Fernandes, Isabella Drumond Franco, Antti Poso, Vinícius Gonçalves Maltarollo
Ligand- and Structure-Based Approaches of Escherichia coli FabI Inhibition by Triclosan Derivatives: From Chemical Similarity to Protein Dynamics Influence. ChemMedChem 14 (23) (2019)
Kamila Anna Meissner, Thales Kronenberger, Vinícius Gonçalves Maltarollo, Gustavo Henrique Goulart Trossini, Carsten Wrenger
Targeting the Plasmodium falciparum plasmepsin V by ligand-based virtual screening. Chemical biology & drug design 93 (3) (2018)