Rational Design of New Drug Candidates against Neglected Tropical Diseases and Cancer


Development of In Silico Tools for Predicting Pharmacokinetics and Toxicity Properties


The Laboratory for Molecular Modeling and Drug Design was established in March 2009, at the Faculty of Pharmacy of the Federal University of Goiás. The laboratory is equipped with a powerful computer facility and molecular modeling and design softwares. At present, there are 13 members in LabMol, including 1 professor, 1 research professor, 4 Ph.D. students and 4 Master degree students, and 3 undergraduate students. The lab is generally interested on searching new drugs for the treatment of neglected tropical diseases and cancer, and also to develop new tools for predicting drug metabolism and toxicity, using the broad areas of computer-assisted drug design, cheminformatics, and structural bioinformatics.


Our research group is focused on designing of new drug candidates for infectious diseases such as Chagas disease, schistosomiasis, leishmaniasis, malaria and tuberculosis, as well as for cancer. Another important goal of our group is the development of predictive models for pharmacokinetics and toxicity properties. The work developed by our group has resulted in publications in international indexed journals, abstracts, dissertations and awards in national and international meetings of Medicinal and Computational Chemistry area.