Elucidating Molecular Interactions of Natural Inhibitors with HPV-16 E6 Oncoprotein through Docking Analysis
| Autor: | Lingaraja Jena, Sangeeta Daf, Kanchan Mohod, Ashok K. Varma, Satish Kumar, Sneha Galande |
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| Jazyk: | angličtina |
| Rok vydání: | 2014 |
| Předmět: |
Drug
lcsh:QH426-470 media_common.quotation_subject In silico neoplasms Health Informatics Computational biology Biology Epigallocatechin gallate chemistry.chemical_compound Genetics medicine Homology modeling Ecology Evolution Behavior and Systematics media_common Molecular interactions HPV infection molecular docking medicine.disease lcsh:Genetics chemistry Docking (molecular) plant products DNA probes HPV Curcumin Original Article |
| Zdroj: | Genomics & Informatics Genomics & Informatics, Vol 12, Iss 2, Pp 64-70 (2014) |
| ISSN: | 2234-0742 1598-866X |
| Popis: | Human papillomavirus (HPV) infection is the leading cause of cancer mortality among women worldwide. The life-threatening infection caused by HPV demands the need for designing anticancerous drugs. In the recent years, different compounds from natural origins, such as carrageenan, curcumin, epigallocatechin gallate, indole-3-carbinol, jaceosidin, and withaferin, have been used as a hopeful source of anticancer therapy. These compounds have been shown to suppress HPV infection by different researchers. In the present study, we explored these natural inhibitors against E6 oncoprotein of high-risk HPV-16, which is known to inactivate the p53 tumor suppressor protein. A robust homology model of HPV-16 E6 was built to anticipate the interaction mechanism of E6 oncoprotein with natural inhibitory molecules using a structure-based drug designing approach. Docking analysis showed the interaction of these natural compounds with the p53-binding site of E6 protein residues 113-122 (CQKPLCPEEK) and helped the restoration of p53 functioning. Docking analysis, besides helping in silico validation of natural compounds, also helps understand molecular mechanisms of protein-ligand interactions. |
| Databáze: | OpenAIRE |
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