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Updated: Oct 22, 2025
A Comparative Approach to Characterize the Landscape of Host-Pathogen Protein-Protein Interactions
Published on: July 18, 2013
Molecular Landscape and Computational Screening of the Natural inhibitors against HPV16 E6 Oncoprotein
Tanzil Juneja1, Medha D Pandya2, Sejal Shah1
1Department of Microbiology, School of Science, RK University, Rajkot, India.
Background:
Human Papillomavirus (HPV) is a small, non-enveloped, icosahedral and double-stranded DNA virus with a genome of 8 kb, belonging to the papillomaviridae family. HPV has been associated with 99.7% cases of cervical squamous cell carcinoma worldwide. The HPV E6 protein is known as a potent oncogene and is closely allied with the events that result in the malignant transformation of virally infected cells.
Objective:
The present study aims to target plant derived anticancer molecules for HPV driven cancer using a computational approach.
Methods:
In this study, E6 oncoprotein was targeted by 101 plant-derived nutraceuticals using the molecular docking method. The multiple sequence analysis and phylogenetic analysis of low risk and high risk 28 HPV E6 proteins were performed.
Results:
Withanolide D, Ginkgetin, Theaflavin, Hesperidin, and Quercetin-3-gluconide were identified as the potential inhibitors of HPV 16 E6 protein. The zinc finger domain was identified on all variants of HPV E6 oncoprotein while high-risk HPV18, HPV31, HPV33, HPV35, HPV39, HPV45, HPV58, HPV68 and HPV73: probable risk HPV53 and low-risk HPV43 and HPV70 contain PDZ domain.
Conclusion:
The current study using bioinformatics analysis approaches reveals a promising platform for developing anti-cancerous competitive inhibitors targeting HPV.
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Insights
This study identifies five plant-derived compounds as potential inhibitors of the Human Papillomavirus (HPV) E6 oncoprotein using computational methods. These findings offer a promising avenue for developing novel anti-cancer treatments against HPV-driven cancers.
Area of Science:
- Bioinformatics
- Computational Biology
- Drug Discovery
Background:
- Human Papillomavirus (HPV) is a DNA virus linked to nearly all cervical cancers.
- The HPV E6 protein is a key oncogene driving malignant cell transformation.
Purpose of the Study:
- To computationally screen plant-derived anticancer molecules against HPV-driven cancers.
- To identify potential inhibitors targeting the HPV E6 oncoprotein.
Main Methods:
- Molecular docking was employed to assess 101 plant-derived nutraceuticals against the HPV E6 oncoprotein.
- Phylogenetic and multiple sequence analyses were conducted on 28 HPV E6 protein variants.
Main Results:
- Five compounds—Withanolide D, Ginkgetin, Theaflavin, Hesperidin, and Quercetin-3-gluconide—showed potential as HPV 16 E6 inhibitors.
- The zinc finger domain is present in all HPV E6 variants; PDZ domains were identified in high-risk and some low-risk HPV types.
Conclusions:
- Bioinformatics approaches highlight a viable strategy for developing competitive inhibitors against HPV.
- This research paves the way for novel anti-cancer therapeutics targeting HPV infections.
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