Abstract

MOLECULAR MODELING AND PHARMACOPHORE ANALYSIS OF HERPES SIMPLEX VIRUS-1 PROTEIN RECEPTOR (ICP27) AND COMPARATIVE ANALYSIS OF COMMERCIAL DRUGS VS. PHYTOCHEMICALS COMPOUNDS AS INHIBITORS AGAINST HERPES VIRAL DISEASE

Pritam Kumar Panda*, Priyam Patel and Dr. Hetalkumar Panchal

ABSTRACT

Pharmacophore approaches have evolved to be one of the most successful tools in drug discovery since decades. Pharmacophore modeling approach is the most common advanced approach that has been used widely in various purposeful approaches in drug designing to find medication to several chronic diseases. Till now no proper medication helps in curing herpes virus, but with phytochemicals treatment can reduce the harmfulness of this disease. Since no structural information of Herpes Simplex Viral protein receptor has been found in protein repositories we modeled it using I-TASSER. Virtual screening of commercial drugs and phytochemicals has been done using I-GemDock and the screened selected compounds have been docked against ICP-27 Herpes Simplex viral protein receptor. The selected compounds with the receptor-ligand interacting residues were visualized in Discovery Studio 4.1. Hence Phytochemicals as naturally available compounds have effective treatment to Herpes disease and can act as inhibitors to Herpes viral protein receptor these compounds can be used for controlling Herpes disease. The results of comparative analysis of phytochemicals and commercial drug compounds as inhibitor against Herpes Viral Disease showed that phytochemicals is having better binding efficacy than available drugs. Thus using phytochemicals as a medium of medication may reduce the cost dependent factor and can be widely used as medicinal purposes to treat several chronic and dreadful diseases.

Keywords: Phytochemicals, I-Tasser, Herpes Simplex Virus-1, pharmacophore.