Finding new drug candidates for cancer and neglected diseases
We move compounds from computer models to cell experiments: each candidate is first prioritized in silico, then designed and evaluated in vitro.
Cheminformatics
Molecular modeling and docking of ligands into protein targets to prioritize which compounds are worth synthesizing and testing.
Medicinal chemistry
Design and optimization of bioactive molecules guided by structure–activity relationships, from hit compounds to optimized candidates.
Cell-based assays
Evaluation of cytotoxicity and mechanism of action in cancer cell lines, including PI3K-AKT-mTOR pathway and mitochondrial modulation studies.
The Analysis of the PI3K-AKT-mTOR Pathway and Mitochondria Modulation by a 2-Aminopyridine Compound Using the Metastatic Prostate Cancer Cell Line PC-3
Drugs and Drug Candidates 2026, 5, 18
Lab #8, IQSC-USP
Shared with the Biochemistry and Biomaterials Group at the São Carlos Institute of Chemistry, University of São Paulo.
Students and collaborators
Interested in joining a project or collaborating with the group?
São Carlos Institute of Chemistry
University of São Paulo
Av. Trabalhador São-carlense, 400
Parque Arnold Schimidt
13566-590 · São Carlos – SP, Brazil
© 2026 Chemical Discovery Group · IQSC-USP