Abstract

IN SILICO MOLECULAR INTERACTIONS OF HIV ANTIVIRAL DRUGS AGAINST HPV TYPE 18 E6 PROTEIN

Lalit R. Samant*, Vikrant C. Sangar, Shahid Chaudhary and Abhay Chowdhary

ABSTRACT

Human Papillomavirus (HPV) is a major etiological factor for cervical cancers, there are several reports on anti-HIV drugs which have potential of anticancer potential. During development of cervical cancer, E7 and E6 are expressed in cervical cells. This study was carried out using clinically approved antiviral drugs which inhibit proteosome. Indinavir, Darunavir, Rotinavir and Lopinavir structures were available on the Pubchem database. HPV type 18 E6 protein structure was downloaded from RCSB PDB. Drug molecule optimization, addition of charges and hydrogen bonds was carried out using Autodock Tools. Receptor optimization was carried out using Accelrys Discovery studio visualizer 4. Molecular docking study was performed on Autodock 4. The results has shown that binding energy of Lopinavir (-1.83 kcal/mol) was lowest as compared to other drug molecules and hence not significantly active. In future, we can use silence ribonucleic acid targeting the HPV 18 E6 gene in combination with different protease inhibitors which can be use as alternative to surgery for the treatment of HPV-related premalignant lesions of the cervix.

Keywords: HPV type 18 E6, Autodock4, Discovery studio Visualizer4, Drugs, Molecular interaction, Docking.