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Kumar, Satish,Jena, Lingaraja,Galande, Sneha,Daf, Sangeeta,Mohod, Kanchan,Varma, Ashok K. Korea Genome Organization 2014 Genomics & informatics Vol.12 No.2
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.
Satish Kumar,Lingaraja Jena,Sneha Galande,Sangeeta Daf,Kanchan Mohod,Ashok K. Varma 한국유전체학회 2014 Genomics & informatics Vol.12 No.2
Human papillomavirus (HPV) infection is the leading cause of cancer mortality among women worldwide. The lifethreateninginfection caused by HPV demands the need for designing anticancerous drugs. In the recent years, differentcompounds from natural origins, such as carrageenan, curcumin, epigallocatechin gallate, indole-3-carbinol, jaceosidin, andwithaferin, have been used as a hopeful source of anticancer therapy. These compounds have been shown to suppress HPVinfection by different researchers. In the present study, we explored these natural inhibitors against E6 oncoprotein ofhigh-risk HPV-16, which is known to inactivate the p53 tumor suppressor protein. A robust homology model of HPV-16 E6was built to anticipate the interaction mechanism of E6 oncoprotein with natural inhibitory molecules using a structurebaseddrug designing approach. Docking analysis showed the interaction of these natural compounds with the p53-bindingsite of E6 protein residues 113-122 (CQKPLCPEEK) and helped the restoration of p53 functioning. Docking analysis, besideshelping in silico validation of natural compounds, also helps understand molecular mechanisms of protein-ligandinteractions.