Area of research
Computational Theory and Mathematics · Public Health, Environmental and Occupational Health
Research interest
Research interests include Drug discovery, Chemistry, Quantitative structure–activity relationship, Praziquantel, Repurposing, and In silico.
Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni
Editorial: Current approaches in infectious disease drug discovery
Schistosomiasis Drug Discovery in the Era of Automation and Artificial Intelligence
Novel computational models offer alternatives to animal testing for assessing eye irritation and corrosion potential of chemicals
In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity
Déjà vu: Stimulating open drug discovery for SARS-CoV-2
Chemogenomics and bioinformatics approaches for prioritizing kinases as drug targets for neglected tropical diseases
Unveiling the Kinomes of <i>Leishmania infantum</i> and <i>L. braziliensis</i> Empowers the Discovery of New Kinase Targets and Antileishmanial Compounds
Computationally-guided drug repurposing enables the discovery of kinase targets and inhibitors as new schistosomicidal agents
QSAR-driven design, synthesis and discovery of potent chalcone derivatives with antitubercular activity
Computer-aided discovery of two novel chalcone-like compounds active and selective against Leishmania infantum
Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening
QSAR-Driven Discovery of Novel Chemical Scaffolds Active against <i>Schistosoma mansoni</i>