Molecular models of tryptophan synthase from Mycobacterium tuberculosis complexed with inhibitors
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Data
2006-01-01
Autores
Dias, MVB
Canduri, F.
da Silveira, NJF
Czekster, C. M.
Basso, L. A.
Palma, Mario Sergio [UNESP]
Santos, D. S.
de Azevedo, W. F.
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Editor
Humana Press Inc
Resumo
The development of new therapies against infectious diseases is vital in developing countries. Among infectious diseases, tuberculosis is considered the leading cause of death. A target for development of new drugs is the tryptophan pathway. The last enzyme of this pathway, tryptophan synthase (TRPS), is responsible for conversion of the indole 3-glycerol phosphate into indol and the condensation of this molecule with serine-producing tryptophan. The present work describes the molecular models of TRPS from Mycobacterium tuberculosis (MtTRPS) complexed with six inhibitors, the indole 3-propanol phosphate and five arylthioalkyl-phosphonated analogs of substrate of the a-subunit. The molecular models of MtTRPS present good stereochemistry, and the binding of the inhibitors is favorable. Thus, the generated models can be used in the design of more specific drugs against tuberculosis and other infectious diseases.
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Palavras-chave
tryptophan synthase, Mycobacterium tuberculosis, molecular modeling, drug design, structural bioinformatics
Como citar
Cell Biochemistry and Biophysics. Totowa: Humana Press Inc., v. 44, n. 3, p. 375-384, 2006.