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Computational investigation of marine bioactive compounds against E6 oncoprotein of Human Papilloma Virus- HPV16

Pavithra Dhamodharan; Nirmaladevi Ponnusamy; Rajasree Odumpatta; Sajitha Lulu; Mohanapriya Arumugam.

Abstract
Human papilloma virus 16 (HPV16) is the most leading cause of cervical cancer mortality in women. E6 viral oncoprotein in HPV16 plays a crucial role in inducing cervical cancer and is considered as a target in this work. Marine inhabitants are very good of bioactive compounds that play a promising role as potent inhibitors against several types of cancers. Virtual screening, molecular docking and molecular dynamics simulation has been employed to identify the potential inhibitor in marine organisms. Among the collected bioactive compounds, Salicylihalamide B from Haliclona species emerged as a potent inhibitor against E6 oncoprotein of HPV16. This compound or its analogs can be used as a template in developing future drug candidates against cervical cancer.

Key words: Cervical cancer;E6 oncoprotein;Marine sponges;Bioactive compounds;Molecular Docking;Salicylihalamide B



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