title: Molecular models of tryptophan synthase from mycobacterium tuberculosis complexed with inhibitors.
abstract: 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 alpha-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.
authors: Programa de Pós-Graduação em Biofísica Molecular, Departamento de Física, UNESP, São José do Rio Preto, Brazil.
authors: Marcio Vinicius Bertacine
authors: MV
authors: Dias
authors: Fernanda
authors: F
authors: Canduri
authors: Nelson José Freitas
authors: NJ
authors: da Silveira
authors: Clarissa Melo
authors: CM
authors: Czekster
authors: Luis Augusto
authors: LA
authors: Basso
authors: Mário Sérgio
authors: MS
authors: Palma
authors: Diógenes Santiago
authors: DS
authors: Santos
authors: Walter Filgueira
authors: WF
authors: de Azevedo