BACK TO CONTENTS   |    PDF   |    PREVIOUS   |    NEXT

Title

Molecular screening of compounds to the predicted Protein-Protein Interaction site of Rb1-E7 with p53-E6 in HPV

 

Authors

Faraz Shaikh1, Parvish Sanehi2 & Rakesh Rawal3*

 

Affiliation

1Department of Bioinformatics, Christ college Rajkot- India; 2Kadi Sarva Vishwa Vidyalay, Gandhinagar; 3Department of Cancer Biology, The Gujarat Cancer & Research Institute, Ahmedabad.

 

Email

rakeshmrawal@gmail.com; *Corresponding author

 

Article Type

Hypothesis

 

Date

Received June 18, 2012; Accepted June 26, 2012; Published July 06, 2012

 

Abstract

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.

 

Keywords

Bioinformatics, Cervical cancer, Human Papiloma Virus, Structure Based Drug Design, Protein-Protein interaction, Nicandrenone, Molecular Docking

Citation

Shaikh et al. Bioinformation 8(13): 607-612 (2012)
 

Edited by

P Kangueane

 

ISSN

0973-2063

 

Publisher

Biomedical Informatics

 

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.