Abstract
Background:Human Papillomavirus (HPV) is a small, non-enveloped, icosahedral and double-stranded DNA virus with a genome of 8 kb, belonging to the papillomaviridae family. HPV has been associated with 99.7% cases of cervical squamous cell carcinoma worldwide. The HPV E6 protein is known as a potent oncogene and is closely allied with the events that result in the malignant transformation of virally infected cells. Objective:The present study aims to target plant derived anticancer molecules for HPV driven cancer using a computational approach. Methods: In this study, E6 oncoprotein was targeted by 101 plant-derived nutraceuticals using the molecular docking method. The multiple sequence analysis and phylogenetic analysis of low risk and high risk 28 HPV E6 proteins were performed. Results:Withanolide D, Ginkgetin, Theaflavin, Hesperidin, and Quercetin-3-gluconide were identified as the potential inhibitors of HPV 16 E6 protein. The zinc finger domain was identified on all variants of HPV E6 oncoprotein while high-risk HPV18, HPV31, HPV33, HPV35, HPV39, HPV45, HPV58, HPV68 and HPV73: probable risk HPV53 and low-risk HPV43 and HPV70 contain PDZ domain. Conclusion:The current study using bioinformatics analysis approaches reveals a promising platform for developing anti-cancerous competitive inhibitors targeting HPV.
Highlights
Cancer is a multifactorial disease, which involves the degradation of several cell signalling pathways (Shah et al, 2015; Shah, 2016; Shah et al, 2017; Shah et al, 2018) recent study identified various metabolites for onset of cancer (Patel et al, 2021)
The zinc finger domain was identified on all variants of Human Papillomavirus (HPV) E6 oncoprotein while high-risk HPV18, HPV31, HPV33, HPV35, HPV39, HPV45, HPV58, HPV68 and HPV73: probable risk HPV53 and low-risk HPV43 and HPV70 contain PDZ domain
The virtual screening of ligands against E6 oncoprotein achieved and Withnolide D, Ginkgetin, Theaflavin, Hesperidin, Quercetin-3gluconide, Silymarin, Epigallocatechin gallate (EGCG), Flavonol 3-O-glycoside, Ginkgolides B and Curcumin were identified as potential inhibitors of HPV 16 E6 protein (See Table 2)
Summary
Cancer is a multifactorial disease, which involves the degradation of several cell signalling pathways (Shah et al, 2015; Shah, 2016; Shah et al, 2017; Shah et al, 2018) recent study identified various metabolites for onset of cancer (Patel et al, 2021). HPV has been associated with 90% of cervical squamous cell carcinoma cases worldwide, as well as some other cancers related to the vagina, vulva, penis, anus, head and neck, oral cavity and oropharynx (de Martel et al, 2020). Human papillomavirus (HPV) is a small, non-enveloped, icosahedral and doublestranded DNA virus with a genome of 8 kb, belonging to the Papillomaviridae family. Human Papillomavirus (HPV) is a small, non-enveloped, icosahedral and double-stranded DNA virus with a genome of 8 kb, belonging to the papillomaviridae family. The HPV E6 protein is known as a potent oncogene and is closely allied with the events that result in the malignant transformation of virally infected cells. Objective: The present study aims to target plant derived anticancer molecules for HPV driven cancer using a computational approach.
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