MOLECULAR DYNAMICS OF Edwardsiella tarda ADENOSINE DEAMINASE PROTEIN IN WATER - EXPERIMENTAL TUTORIAL

• Autor(a) principal: Calixto, Paulo Henrique Matayoshi
• Data de Publicação: 2015
• Outros Autores: Ballarini, Arnaldo José, Dias, Cláudio Aberto Gellis de Mattos, Sá-Oliveira, Júlio César
• Tipo de documento: Artigo
• Idioma: por
• Título da fonte: Biota Amazônia
• Texto Completo: https://periodicos.unifap.br/index.php/biota/article/view/1101

The Gram-negative bacteria Edwardsiella tarda is responsible for edwardisiellosis, a hemorrhagic disease of fish, which leads to large economic losses worldwide. The knowledge of the molecules involved in biochemical processes in E. tarda is important for the development of new therapeutic and/or prophylactic targets. One of these molecules is adenosine deaminase, involved in the maturation process of the tRNA by converting adenosine to inosine, not yet investigated in E. tarda. The characterization of a protein is best conducted when if know the structural particularities. One of the main tools of structural characterization is molecular dynamics. In this sense, the aim of this work was provide to the reader an eased tutorial of molecular dynamics using the GROMACS, as well as perform molecular dynamics of E. tarda adenosine deaminase.  The data generated by molecular dynamics showed that the structure of adenosine deaminase, determined in silico, is extremely stable. The use of molecular dynamics can assist in the choice of new therapeutic targets, especially in rational drug design.Keywords: Edwardsiella tarda; adenosine deaminase; molecular dynamics; GROMACS; tutorial.