Modelagem comparativa da metaloprotease VMBMP de Bothrops Moojeni por homologia estrutural

Abstract

This study aims to carry out a structural model three-dimensional, through of comparative modeling of a metalloproteinase VMBMP_BOTMO, found in the venom of snake species Bothrops moojeni. The proposed model was built from a homologous metalloproteinase, it found in the venom of Bothrops asper. The choice of this metalloproteinase was based on structural similarity between the two macromolecules, as evidenced by alignment 2D of the chain of amino acid residues. Armed with such a structural (B. asper), was generated a three-dimensional model of metalloproteinase B. moojeni. This model is being validated, with the help of specific software for this step, which will allow the analysis of agreement of 3D structural, it porposed for the biomolecule. Once known three-dimensional molecular arrangement, we can use this molecule in two important applications: (1) design of inhibitor drugs for another metelloproteinases, presents in snake venoms from the same genre Bothrops; (2) in design of drugs, like inductors of immune response, against tropical endemic diseases. Keywords: Bothrops moojeni, metalloproteinase, comparative molecular modeling, drug design.