Abstract

MODELING, DYNAMIC STUDIES AND ANTI BACTERIAL ACTIVITY OF ABC TRANSPORTER2 IN ANTHERAEA MYLITTA

Krishna Madipelli*, P. Madhusudhan Reddy and P. Nagaraja Rao

ABSTRACT

Computational approaches involving modelling and simulation are beginning to yield insight into the dynamics of the transporters. In this work we have modelled ABC Transporter2 from Antheraea mylitta using 1XOS as a template with the help of Modeller7v7. Molecular optimization studies were performed and the final model was further checked by Verify 3D and Procheck programs, which showed the reliability of the protein structure. With this model, a flexible docking study was performed with Sortase A using GOLD3.0.1 software. The results indicated that ARG 157, THR115, LEU242 in Sortase A are amino acids involved in docking studies as these were having bonding with the Sortase A.

Keywords: Antheraea mylitta, Homology Modeling, ABC Transporter2, Docking.