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通过针对冠状病毒的计算机对接模拟对新型抗病毒肽(AVP)进行建模。

Modeling novel Anti-Viral peptides (AVPs) with in-silico docking simulations against corona virus.

作者信息

Sharma Aditi, Pant Kumud, Pande Akshara, Sinha Somya, Pant Bhasker

机构信息

Deparment of Life Sciences, Graphic Era Deemed to be University, Dehradun, Uttarakhand, India.

Department of Biotechnology, Graphic Era Deemed to be University, Dehradun, Uttarakhand, India.

出版信息

Mater Today Proc. 2021;46:11169-11176. doi: 10.1016/j.matpr.2021.02.377. Epub 2021 Feb 27.

DOI:10.1016/j.matpr.2021.02.377
PMID:33680868
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7914030/
Abstract

The havoc created by Corona virus has been dealt with using various integrative approaches adopted by laboratories through-out the world. Use of anti-viral peptides (AVPs) although new but has shown tremendous potential against many pathogens. Previously AVPs have been designed against spike protein of corona virus which is the major entry mediating molecule. Using various in-silico strategies, in this research work AVPs have been modeled against lesser studied viral proteins namely ORF7a protein, Envelope protein (E), Nucleoprotein (N), and Non-Structural protein (Nsp1 and Nsp2). The predicted AVPs have been docked against various host as well as viral proteins. The interaction of small AVPs seems capable of interfering with binding between viral protein and its host counterpart. Therefore, these AVPs can act as a deterrent against novel corona virus, which requires further validation through laboratory techniques.

摘要

世界各地的实验室采用了各种综合方法来应对新冠病毒造成的破坏。抗病毒肽(AVP)的使用虽然是新方法,但已显示出对许多病原体具有巨大潜力。以前曾针对新冠病毒的刺突蛋白设计过AVP,刺突蛋白是主要的进入介导分子。在这项研究工作中,利用各种计算机模拟策略,针对研究较少的病毒蛋白,即开放阅读框7a蛋白、包膜蛋白(E)、核蛋白(N)和非结构蛋白(Nsp1和Nsp2)对AVP进行了建模。预测的AVP已与各种宿主蛋白以及病毒蛋白进行对接。小型AVP的相互作用似乎能够干扰病毒蛋白与其宿主对应物之间的结合。因此,这些AVP可以作为对抗新型冠状病毒的一种威慑手段,这需要通过实验室技术进一步验证。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df0b/7914030/cc371eda7f02/gr8_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df0b/7914030/362d1e1f10cd/gr1_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df0b/7914030/3aef28aa51da/gr2_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df0b/7914030/497709d0925c/gr3_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df0b/7914030/cd980a69d9c4/gr4_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df0b/7914030/0dae9aaa48c6/gr5_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df0b/7914030/03ae86112cd6/gr6_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df0b/7914030/5dd3fc7792bd/gr7_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df0b/7914030/cc371eda7f02/gr8_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df0b/7914030/362d1e1f10cd/gr1_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df0b/7914030/3aef28aa51da/gr2_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df0b/7914030/497709d0925c/gr3_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df0b/7914030/cd980a69d9c4/gr4_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df0b/7914030/0dae9aaa48c6/gr5_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df0b/7914030/03ae86112cd6/gr6_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df0b/7914030/5dd3fc7792bd/gr7_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df0b/7914030/cc371eda7f02/gr8_lrg.jpg

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本文引用的文献

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The Potential of Antiviral Peptides as COVID-19 Therapeutics.抗病毒肽作为新冠治疗药物的潜力
Front Pharmacol. 2020 Sep 15;11:575444. doi: 10.3389/fphar.2020.575444. eCollection 2020.
2
Fusion Protein Targeted Antiviral Peptides: Fragment-Based Drug Design (FBDD) Guided Rational Design of Dipeptides Against SARS-CoV-2.融合蛋白靶向抗病毒肽:基于片段的药物设计(FBDD)指导针对 SARS-CoV-2 的二肽的合理设计。
Curr Protein Pept Sci. 2020;21(10):938-947. doi: 10.2174/1389203721666200908164641.
3
In silico design of antiviral peptides targeting the spike protein of SARS-CoV-2.
针对 SARS-CoV-2 刺突蛋白的抗病毒肽的计算机设计。
Peptides. 2020 Aug;130:170328. doi: 10.1016/j.peptides.2020.170328. Epub 2020 May 5.
4
Evolutionary perspectives on novel coronaviruses identified in pneumonia cases in China.对在中国肺炎病例中发现的新型冠状病毒的进化观点。
Natl Sci Rev. 2020 Feb;7(2):239-242. doi: 10.1093/nsr/nwaa009. Epub 2020 Jan 29.
5
History is repeating itself: Probable zoonotic spillover as the cause of the 2019 novel Coronavirus Epidemic.历史正在重演:可能是人畜共患病传播导致了2019年新型冠状病毒疫情。
Infez Med. 2020 Mar 1;28(1):3-5.
6
A Novel Coronavirus from Patients with Pneumonia in China, 2019.2019 年中国肺炎患者中的一种新型冠状病毒。
N Engl J Med. 2020 Feb 20;382(8):727-733. doi: 10.1056/NEJMoa2001017. Epub 2020 Jan 24.
7
A Novel Coronavirus Emerging in China - Key Questions for Impact Assessment.一种在中国出现的新型冠状病毒——影响评估的关键问题
N Engl J Med. 2020 Feb 20;382(8):692-694. doi: 10.1056/NEJMp2000929. Epub 2020 Jan 24.
8
MDockPeP: An ab-initio protein-peptide docking server.MDockPeP:一种从头开始的蛋白质-肽对接服务器。
J Comput Chem. 2018 Oct 30;39(28):2409-2413. doi: 10.1002/jcc.25555. Epub 2018 Oct 23.
9
CASTp 3.0: computed atlas of surface topography of proteins.CASTp 3.0:蛋白质表面形貌计算图谱。
Nucleic Acids Res. 2018 Jul 2;46(W1):W363-W367. doi: 10.1093/nar/gky473.
10
Fully Blind Docking at the Atomic Level for Protein-Peptide Complex Structure Prediction.用于蛋白质-肽复合物结构预测的原子水平全盲对接
Structure. 2016 Oct 4;24(10):1842-1853. doi: 10.1016/j.str.2016.07.021. Epub 2016 Sep 15.