Vinícius Gonçalves Maltarollo

Universidade Federal de Minas Gerais — Brazil

Computer Science · Physical Sciences

24h-index2.9kcitations170works6.82yr avg
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Research Topics

Computational Drug Discovery Methods(81), Synthesis and biological activity(24), Analytical Chemistry and Chromatography(14), Chemical Synthesis and Analysis(12), Machine Learning in Materials Science(11)

Publications167 total

Reading between the Chains: Surface Mapping and Druggable Pockets on the Biological Assemblies of DENV-2’s Protein E
ACS Omega·2026Open Access
Synthesis and Biological Evaluation of Tetrahydroisoquinoline Derivatives as Trypanocidal Agents
ACS Omega·2026Open Access
Tetrahydroquinoline/4,5-dihydroisoxazoline derivatives counteract multidrug resistance in cancer cells by inhibiting P-glycoprotein (ABCB1)-mediated transport
Biochimica et Biophysica Acta (BBA) - General Subjects·2025
Discovery of benzyl carbamate inhibitors of coronavirus M <sup>pro</sup> enzymes from a legacy collection of cysteine protease inhibitors
Journal of Enzyme Inhibition and Medicinal Chemistry·2025Open Access
Design of arylfurans as potential FAAH inhibitors: therapeutic potential in pain management
Bioorganic & Medicinal Chemistry·2025· 1 cited
Artificial intelligence in drug design: why a ‘one-size-fits-all’ approach remains out of reach
Expert Opinion on Drug Discovery·2025· 1 cited
Look What You Made Me Do: Discerning Feature for Classification of Endocrine-Disrupting Chemical Binding to Steroid Hormone Receptors
Journal of Chemical Information and Modeling·2025· 1 citedOpen Access
Ouratein D, a Biflavanone From <i>Ouratea spectabilis</i>, Alleviates Betacoronavirus Infection by Mitigating Inflammation, Lung Damage and Viral Replication
Phytotherapy Research·2025Open Access
Discovery of Arylfuran and Carbohydrate Derivatives from the BraCoLi Library as Potential Zika Virus NS3pro Inhibitors
Future Pharmacology·2025· 1 citedOpen Access
Thiazole Derivatives as Promising Candidates for Cryptococcosis Therapy
ACS Infectious Diseases·2025· 6 citedOpen Access
Investigation of the activity of 4-aminoquinolines as cysteine protease inhibitors with application in the treatment of Chagas disease
Memórias do Instituto Oswaldo Cruz·2025· 1 citedOpen Access
Machine Learning Models for the Identification of Natural Products with Anti-Schistosomiasis Activity
Journal of the Brazilian Chemical Society·2025Open Access
Introduction to Cheminformatics for Predictive Modeling
Challenges and advances in computational chemistry and physics·2025
Antioxidant, Antiproliferative, Antibacterial, and Antimalarial Effects of Phenolic-Rich Green Tea Kombucha
Beverages·2024· 6 citedOpen Access
Ultra‐Large Virtual Screening: Definition, Recent Advances, and Challenges in Drug Design
Molecular Informatics·2024· 21 cited
Development of an Antiviral Medicinal Plant and Natural Product Database (avMpNp Database) from Biodiversity
Chemistry & Biodiversity·2024Open Access
Structure‐Guided Drug Design Targeting Abl Kinase: How Structure and Regulation Can Assist in Designing New Drugs
ChemBioChem·2024· 7 cited
Integration of LBDD and SBDD Studies on Drug Design: A Fatty Acid Amide Hydrolase (FAAH) Case Study
Journal of the Brazilian Chemical Society·2024· 1 citedOpen Access
Synthesis, design, and optimization of a potent and selective series of pyridylpiperazines as promising antimalarial agents
European Journal of Medicinal Chemistry·2024· 2 cited
Understanding the Enzyme (<i>S</i>)-Norcoclaurine Synthase Promiscuity to Aldehydes and Ketones
Journal of Chemical Information and Modeling·2024· 4 citedOpen Access
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Frequent Co-authors

Káthia M. Honório(24), Thales Kronenberger(12), Gustavo Henrique Goulart Trossini(9), Renata Barbosa de Oliveira(8), Mateus Sá Magalhães Serafim(8), Patrícia R. Oliveira(7), Jadson Castro Gertrudes(5), Philipe Oliveira Fernandes(4), Luciana Azevedo(4), Sheila Cruz Araújo(4), Rafaela Salgado Ferreira(4), Mariana Araújo Vieira do Carmo(3), Frederico Augusto Ribeiro de Barros(3), Ricardo José Alves(3), Bruno Eduardo Fernandes Mota(3), Gabriel Corrêa Veríssimo(3), Michell O. Almeida(3), Albérico B. F. da Silva(2), Cleudiomar Inácio Lino(2), Simone Queiroz Pantaleão(2)