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About Us

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.  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.



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.

We are making progress

ADME/Tox In Silico Tools

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Best services around

The blockage of the hERG K+ channels is closely associated with lethal cardiac arrhythmia. The notorious ligand promiscuity of this channel earmarked hERG as one of the most important antitargets to be considered in early stages of drug development process. Pred-hERG is an innovative and freely accessible web app for early identification of putative hERG blockers and non-blockers in chemical libraries.
The Pred-Skin app is a fast, reliable, and user-friendly tool for early assessment of chemically-induced skin sensitization. The app provides easy means for end users to make predictions using externally validated QSAR models for skin sensitization based on murine (LLNA) and human data. The predictions for a single compound run in a few seconds and the app does not require computational of programming skills from the user.
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Latest from Blog

New Publication

Check out our recent paper: "QSAR models of human data can enrich or replace LLNA…

Get in Touch with Us

Our Headquarter is in Brazil


LabMol, Faculdade de Farmácia, Universidade Federal de Goiás

Rua 240, Qd. 87, Setor Leste Universitário, Goiânia, Goiás 74605-170, Brazil.

Phone: (+55) 62 3209 6451
Fax: (+55) 62 3209 6037

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