IN-SILICO DETOXIFICATION EVIDENCE OF THE HERBICIDE BISPYRIBAC SODIUM BY A TEORETHICAL MODEL OF GLUTATHIONE S-TRANSFERASE TAU 5 FROM Oryza sativa L.

• DOI: 10.22533/at.ed.1381912027

• Palavras-chave: atena

• Keywords: Molecular Modeling, Docking, OsGST, Herbicide.

• Abstract:

  Rice (Oryza sativa L.) is one

  of the most important crops in the world, and

  it has being the primary source of nutritional

  layout in developing countries in Asian. Despite

  this remarkable importance, there are few

  studies about the development of techniques

  that minimizes the potential problems inherent

  of this grain cultivation, such as competition

  with weeds, making necessary the use of

  herbicides. The glutathione S-transferases

  (GSTs) superfamily confers to rice protection

  against biotic and abiotic stress, and herbicide

  resistance. However, the three-dimensional

  structure of a GST Tau class, is unsolved.

  The objectives of this work were to develop a

  reliable comparative model for the s-transferase

  glutathione class Tau 5 from rice, and simulate

  docking interactions, against herbicides

  bentazon and metsulfuron. Results showed

  that the predicted model is reliable and has

  structural quality. Ramachandran plot set 95,4%

  of the residues in the most favored regions. All

  complexes showed negative binding energies

  values; and bispyribac sodium docked to the

  glutathione tripeptide, and it represents an insilico

  evidence of glutathione conjugation with

  this herbicide.

• Número de páginas: 15