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Computational Analysis of Dynamical Fluctuations of Oncoprotein E7 (HPV 16) for the Hot Spot Residue Identification Using Elastic Network Model
Letters in Drug Design & Discovery ( IF 1 ) Pub Date : 2020-10-31 , DOI: 10.2174/1570180817999200606225735
Rabbiah Malik 1 , Sahar Fazal 1 , Mohammad Amjad Kamal 1
Affiliation  

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.



中文翻译:

弹性蛋白模型用于识别热点残留物的癌蛋白E7(HPV 16)动态波动的计算分析

目的:找出针对HPV E7的潜在药物靶标。

背景:人乳头瘤病毒(HPV-16)的癌蛋白E7入侵人体后,其宿主蛋白-蛋白相互作用网络因E7中氨基酸残基的波动而改变。E7与人宿主的Rb蛋白相互作用,具有可变的残留波动,从而导致宫颈癌的进展。

目的:我们的研究重点是对HPV E7蛋白与Rb蛋白的结合和竞争相互作用的计算分析。

方法:我们的研究基于宿主细胞中E7的动态波动分析和LxCxE基序中特定残基的相关性分析,LxCxE是稳定E7与Rb之间相互作用的关键区域。

结果与讨论:半胱氨酸,亮氨酸和谷氨酸已被鉴定为E7的热点残基,可为将来的药物设计和宫颈癌的发病机理提供平台。我们的研究表明,HPV E7的线性结合基序LxCxE与Rb相互作用的生命力得到了验证,这是HPV在人细胞中传播以及感染转化为宫颈癌的重要事件。

结论:我们的研究表明,HPV E7的线性结合基序LxCxE在与Rb相互作用中的生命力得到了验证,这是HPV在人细胞中传播和感染转化为宫颈癌的重要事件。

其他:E7与人宿主的Rb蛋白相互作用,具有可变的残留波动,从而导致宫颈癌的进展。

更新日期:2020-10-30
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