Abstract

IN SILICO STUDIES ON DENGUE AND LASSA VIRAL PROTEINS WITH SELECTED AZADIRACHTA INDICA LEAVES CONSTITUENTS

Ashwini B.M., Mahesh K., Nagarjun N., Aniruddha B.S. and *Balasubramanian Sathyamurthy

ABSTRACT

Dengue virus contains seven proteins and Lassa virus contains four proteins, which are considered to be most effective for drug designing. Recent studies have shown that these proteins can effectively inactivate the dengue and lassa diseases in humans. Azadirachta indica phytochemicals are found to have anti cancer and anti-bacterial properties. In the particular study, the binding efficiency of five compounds that are present in the Azadirachta indica with all the eleven proteins through in silico methods was carried out. By our virtual screening and molecular docking result, we found that the 9,12,15 - Octadecatrienoic acid,(Z,Z,Z) and 8,11,14- Eicosatrienoic acid have highest binding affinities with the proteins and we also predicted the amino acid residues in the binding site and the type of hydrogen bonding.

Keywords: Neem, molecular docking, hydrogen bonding, 9, 12, 15 - Octadecatrienoic acid, 8, 11, 14- Eicosatrienoic acid.