Bioinformatics Tools for Screening of Antiparasitic Drugs

Title: Bioinformatics Tools for Screening of Antiparasitic Drugs

Volume: 10 Issue: 3

Author(s): Walter Filgueira de Azevedo Junior, Raquel Dias, Luis Fernando Saraiva Macedo Timmers, Ivani Pauli, Rafael Andrade Caceres and Milena Botelho Pereira Soares

Affiliation:

Keywords: Virtual screening, protein-ligand, docking, empirical scoring function, protein target, drug development, in silico screening

Abstract: Drug development has become the Holy Grail of many structural bionformatics groups. The explosion of information about protein structures, ligand-binding affinity, parasite genome projects, and biological activity of millions of molecules opened the possibility to correlate this scattered information in order to generate reliable computational models to predict the likelihood of being able to modulate a target with a small-molecule drug. Computational methods have shown their potential in drug discovery and development allied with in vitro and in vivo methodologies. The present review discusses the main bioinformatics tools available for drug discovery and development.

Cite this article as:

de Azevedo Junior Walter Filgueira, Dias Raquel, Macedo Timmers Saraiva Luis Fernando, Pauli Ivani, Caceres Andrade Rafael and Pereira Soares Botelho Milena, Bioinformatics Tools for Screening of Antiparasitic Drugs, Current Drug Targets 2009; 10 (3) . https://dx.doi.org/10.2174/138945009787581122