Natural Products as Inhibitors of E6 and E7 Proteins of Human Papillomavirus (HPV): An In Silico Approach

Abstract

Malignant overgrowth of cells in the cervix, which is a part of uteri is commonly known as cervical cancer. It is considered as the second most emerging category of cancer globally. Human papillomavirus (HPV) is identified as the main causative agent of this dire disease. While considering various strains of this virus, HPV 16 seems to be closer in causing cervix cancer. Among the major proteins of HPV 16, E6 and E7 proteins, which have transformation properties, also accept the power to modulate host proteins which are regulating cell development and distinction. The display concentrates on identifying novel putative drugs which can stick to these proteins and inhibit its cancer-making property. The targets were chosen from the literature and their 3D structures were built using an ab initio method. Many databases and literature were investigated to construct the natural product library and to ascertain the most suitable putative drug. Docking process was done by Molegro Virtual Docker (MVD) and the candidate molecules were tested for ADME as well as toxicity properties. This presentation will be helpful for researchers, who are currently pursuing in this field.