Search for new therapeutic agents from natural sources

Isolation and identification of compounds from natural sources, with in vitro and in silico biological activity tests.

Design and evaluation of new Pteridine Reductase 1 inhibitors in Leishmania major

Study of the fragmentation mechanism of artemisinin and QSAR relationships for antimalarial endoperoxides

Computational chemistry and QSAR to understand how artemisinin works and prioritize new antimalarial molecules.

Pharmaceutical development using molecular modeling

Simulation of interactions between the components of a formulation to guide pre-formulation assays.

Identification of molecules with acaricidal effect from Ocotea species: isolation, in vitro and in silico evaluation

Ocotea compounds against the tick Rhipicephalus microplus, evaluated in vitro and by molecular docking.

Comparative analysis and adaptation of computational algorithms for the comparison, classification and storage of molecular structures extracted from semi-arid plants

Public query system for a database of compounds from semi-arid plants, with CUDA similarity algorithms.

Identification, by molecular modeling and in vitro evaluation, of new chemical attractants with affinity for the olfactory receptor of Lutzomyia longipalpis, vector of visceral leishmaniasis

Use of in silico tools to identify inhibitors of Mycobacterium tuberculosis enzymes

Use of computational tools to identify molecules of biological interest

Chemical characterization and in silico evaluation of the anxiolytic activity of Passiflora spp.

Characterization of metabolites from Passiflora species and in silico evaluation of the anxiolytic action of the isolated compounds.

Virtual screening and phytochemical analysis of metabolites from semi-arid Bahia plants against the Plasmodium falciparum PfATP6 receptor

Virtual screening and phytochemical analysis to find plant compounds that inhibit the PfATP6 enzyme, a malaria target.