Computational Analysis of Dynamical Fluctuations of Oncoprotein E7 (HPV 16) for the Hot Spot Residue Identification Using Elastic Network Model

Author(s): Rabbiah Malik*, Sahar Fazal, Mohammad Amjad Kamal

Journal Name: Letters in Drug Design & Discovery

Volume 17 , Issue 11 , 2020


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Abstract:

Aims: To find out Potential Drug targets against HPV E7.

Background: Oncoprotein E7 of Human Papilloma Virus (HPV-16), after invading human body alter host protein-protein interaction networks caused by the fluctuations of amino acid residues present in E7. E7 interacts with Rb protein of human host with variable residual fluctuations, leading towards the progression of cervical cancer.

Objective: Our study was focused our computational analysis of the binding and competing interactions of the E7 protein of HPV with Rb protein.

Methods: Our study is based on analysis of dynamic fluctuations of E7 in host cell and correlation analysis of specific residue found in motif of LxCxE, that is the key region in stabilizing interaction between E7 and Rb.

Results and Discussions: Cysteine, Leucine and Glutamic acid have been identified as hot spot residues of E7 which can provide platform for drug designing and understanding of pathogenesis of cervical cancer, in future. Our study shows validation of the vitality of linear binding motifs LxCxE of E7 of HPV in interacting with Rb as an important event in propagation of HPV in human cells and transformation of infection into cervical cancer.

Conclusion: Our study shows validation of the vitality of linear binding motifs LxCxE of E7 of HPV in interacting with Rb as an important event in propagation of HPV in human cells and transformation of infection into cervical cancer.

Other: E7 interacts with Rb protein of human host with variable residual fluctuations, leading towards the progression of cervical cancer.

Keywords: E7, ENM, HPV E7, dynamic fluctuations, drug targets, B-factors, hot spots residues.

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VOLUME: 17
ISSUE: 11
Year: 2020
Page: [1393 - 1400]
Pages: 8
DOI: 10.2174/1570180817999200606225735
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