Molecular models of protein targets from Mycobacterium tuberculosis

Author(s)

Silveira, Nelson José Freitas da ^[1] ; Uchôa, Hugo Brandão ; Pereira, José Henrique ; Canduri, Fernanda ; Basso, Luiz Augusto ; Palma, Mário Sérgio ; Santos, Diógenes Santiago ; Azevedo Jr., Walter Filgueira de ^[8]

Affiliation

^[1] Universidade Estadual Paulista (UNESP). Campus de São José do Rio Preto. Instituto de Biociências, Letras e Ciências Exatas - Brasil

^[8] Universidade Estadual Paulista (UNESP). Campus de São José do Rio Preto. Instituto de Biociências, Letras e Ciências Exatas - Brasil

• Document type: Journal article
• Source: Journal of Molecular Modeling; v. 11, n. 2, p. 160-166, Mar. 2005.

Abstract

Structural characterization of enzymes that belong to microbial metabolic pathways is very important for structure-based drug design since some of these proteins may be present in the bacterial genome, but absent in humans. Thus, metabolic pathways became potential targets for drug design. The motivation of this work is the fact that Mycobacterium tuberculosis is the cause of the deaths of millions of people in the world, so that the structural characterization of protein targets to propose new drugs has become essential. DBMODELING is a relational database, created to highlight the importance of methods of molecular modeling applied to the Mycobacterium tuberculosis genome with the aim of proposing protein-ligand docking analysis. There are currently more than 300 models for proteins from Mycobacterium tuberculosis genome in the database. The database contains a detailed description of the reaction catalyzed by each enzyme and their atomic coordinates. (AU)

• FAPESP's process: 01/07532-0 - Structural genomics of cyclin dependent kinases and plant defensive proteinases and their natural inhibitors
• Grantee: Walter Filgueira de Azevedo Junior
• Support Opportunities: Regular Research Grants