Insilico 3D Structure Modeling and Docking to Find Potent Inhibitors for Thrombocytopenia

Abstract

Lots of people are getting affected by various kinds of auto-immune disease in their day to day life and thrombocytopenia is one of them, which occurs due to lack of thrombocytes or platelets. Various kinds of vaccines, drugs are used to stop the disease, but the effect varies from person to person depending upon the immune system. In thrombocytopenia disease the integrin beta protein of human affects the person’s own immune system leading in the less production of thrombocytes. Here the main objective of the study is to analyse the interaction between the disease stimulating proteins and the ligands or drugs bind to the protein at its active site. The structural prediction along with the stereo-chemical evaluation of protein helped to understand the function of the protein. The active sites of protein show the ligand binding regions. 14 different drugs were considered for the study. Out of which AC1NS627 drug showed best interaction with the protein as its binding perfectly at the active site of the protein. So from the study, we can conclude that AC1NS627 is the better drug which can be used for inhibiting the activity of integrin beta protein.

Keywords: In silico homology modeling, thrombocytopenia, molecular docking