Abstract

DOCKING STUDIES OF 3, 5- DISUBSTITUTED-1, 2, 4-OXADIAZOLE FOR ANTI BACTERIAL STUDIES

A. Sreenubabu* and D. Haribabu Rao

ABSTRACT

Docking studies of synthetic drug derivatives with that of bacterial cell wall receptor known as Listeria nuclear targeted protein A (2XL4) showed that the synthesised compound is a good inhibitor of the Listeria monocytesis. Active site in the protein was identified and the residues are TYR18, TYR21, LYS22, GLN25, ARG26, ARG98, GLY101, ASP102, PHE104, SER105, ARG106, TYR108, ARG109, ASP111, PHE112, ALA113, MET115, SER116, GLN118, LEU119 involved in the active radius of the protein. The designed series of 2,5 disubstitued 1,3,4,oxadiazole were docked to the Listeria nuclear targeted protein A with open eye software. Docking results shows that out of 50 ligands, randomly 23 ligands were docked to the Listeria nuclear targeted protein A, By this we can say that the above docked ligands may show the anti bacterial activity. Among the docked ligands, N-(3-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio}propyl)-4-methylbenzenesulfonamide showed best antimicrobial activity among the derivatives designed.

Keywords: Listeria, Drug Designing, Docking Studies, Oxadiazole.