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Updated: May 20, 2026
A Comparative Approach to Characterize the Landscape of Host-Pathogen Protein-Protein Interactions
Published on: July 18, 2013
Molecular screening of compounds to the predicted Protein-Protein Interaction site of Rb1-E7 with p53- E6 in HPV
Unlabelled:
Cervical cancer is malignant neoplasm of the cervix uteri or cervical area. Human Papillomaviruses (HPVs) which are heterogeneous groups of small double stranded DNA viruses are considered as the primary cause of cervical cancer, involved in 90% of all Cervical Cancers. Two early HPV genes, E6 and E7, are known to play crucial role in tumor formation. E6 binds with p53 and prevents its translocation and thereby inhibit the ability of p53 to activate or repress target genes. E7 binds to hypophosphorylated Rb and thereby induces cells to enter into premature S-phase by disrupting Rb-E2F complexes. The strategy of the research work was to target the site of interaction of Rb1 -E7 & p53-E6. A total of 88 compounds were selected for molecular screening, based on comprehensive literature survey for natural compounds with anti-cancer activity. Molecular docking analysis was carried out with Molegro Virtual Docker, to screen the 88 chosen compounds and rank them according to their binding affinity towards the site of interaction of the viral oncoproteins and human tumor suppressor proteins. The docking result revealed that Nicandrenone a member of Withanolides family of chemical compounds as the most likely molecule that can be used as a candidate drug against HPV induced cervical cancer.
Abbreviations:
HPV - Human Papiloma Virus, HTSP - Human Tumor Suppressor Proteins, VOP - Viral oncoproteins.
Insights
This study screened 88 natural compounds to find a drug candidate for Human Papillomavirus (HPV)-induced cervical cancer. Nicandrenone showed the most promise for targeting viral oncoproteins and tumor suppressor interactions.
Area of Science:
- Oncology
- Virology
- Pharmacology
Background:
- Cervical cancer is primarily caused by Human Papillomaviruses (HPVs), implicated in 90% of cases.
- HPV oncoproteins E6 and E7 disrupt tumor suppressor proteins p53 and Rb, respectively, driving tumor formation.
- Targeting the E6-p53 and E7-Rb interaction sites is a key strategy for cervical cancer therapy.
Purpose of the Study:
- To identify natural compounds that can inhibit the interaction between HPV oncoproteins (E6, E7) and human tumor suppressor proteins (p53, Rb).
- To discover a potential drug candidate for treating HPV-induced cervical cancer.
Main Methods:
- A literature survey identified 88 natural compounds with potential anti-cancer activity.
- Molecular docking analysis using Molegro Virtual Docker screened these compounds.
- Compounds were ranked based on binding affinity to the E6-p53 and E7-Rb interaction sites.
Main Results:
- Molecular docking identified Nicandrenone, a Withanolide, as the most promising compound.
- Nicandrenone demonstrated significant binding affinity at the targeted interaction sites.
- This suggests Nicandrenone's potential as a therapeutic agent against HPV-driven cervical cancer.
Conclusions:
- Nicandrenone is a potential candidate drug for HPV-induced cervical cancer.
- Targeting viral oncoprotein-tumor suppressor protein interactions is a viable therapeutic strategy.
- Further research into Nicandrenone's efficacy and safety is warranted.
