Structure of the RNA-dependent RNA polymerase from COVID-19 virus.
Yan Gao,Yan Gao,Liming Yan,Yucen Huang,Fengjiang Liu,Yao Zhao,Lin Cao,Tao Wang,Qianqian Sun,Zhenhua Ming,Lianqi Zhang,Ji Ge,Litao Zheng,Ying Zhang,Haofeng Wang,Haofeng Wang,Yan Zhu,Chen Zhu,Tianyu Hu,Tian Hua,Bing Zhang,Xiuna Yang,Jun Li,Haitao Yang,Zhi-Jie Liu,Wenqing Xu,Luke W. Guddat,Quan Wang,Zhiyong Lou,Zihe Rao +29 more
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TLDR
The structure of the COVID-19 virus polymerase essential for viral replication provides a basis for the design of new antiviral drugs that target viral RdRp, also named nsp12, and it appears to be a primary target for the antiviral drug remdesivir.Abstract:
A novel coronavirus (COVID-19 virus) outbreak has caused a global pandemic resulting in tens of thousands of infections and thousands of deaths worldwide. The RNA-dependent RNA polymerase (RdRp, also named nsp12) is the central component of coronaviral replication/transcription machinery and appears to be a primary target for the antiviral drug, remdesivir. We report the cryo-EM structure of COVID-19 virus full-length nsp12 in complex with cofactors nsp7 and nsp8 at 2.9-A resolution. In addition to the conserved architecture of the polymerase core of the viral polymerase family, nsp12 possesses a newly identified β-hairpin domain at its N terminus. A comparative analysis model shows how remdesivir binds to this polymerase. The structure provides a basis for the design of new antiviral therapeutics targeting viral RdRp.read more
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Drug design and repurposing with DockThor-VS web server focusing on SARS-CoV-2 therapeutic targets and their non-synonym variants
Isabella A. Guedes,Leon S. C. Costa,Karina B. Santos,Ana Luiza Martins Karl,Gregorio K. Rocha,Iury M. Teixeira,Marcelo M. Galheigo,Vivian Medeiros,Eduardo Krempser,Fabio L. Custodio,Helio J. C. Barbosa,Marisa Fabiana Nicolás,Laurent E. Dardenne +12 more
TL;DR: DockThor-VS as mentioned in this paper provides a virtual screening platform with curated structures of potential therapeutic targets from SARS-CoV-2 incorporating genetic information regarding relevant non-synonymous variations.
Journal ArticleDOI
Structure genomics of SARS-CoV-2 and its Omicron variant: drug design templates for COVID-19
TL;DR: In this article , the authors summarize the structural biology of SARS-CoV-2 and discuss important biological issues that remain to be addressed, highlighting the importance of structure in drug discovery to combat COVID-19.
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High throughput and comprehensive approach to develop multiepitope vaccine against minacious COVID-19.
Rupal Ojha,Nidhi Gupta,Biswajit Naik,Satyendra Singh,Vijay Verma,Dhaneswar Prusty,Vijay Kumar Prajapati +6 more
TL;DR: Encouraging data obtained from the various in-silico works indicated this vaccine as an effective therapeutic against COVID-19 as well as good docking scores affirmed the stringency of engineered vaccine.
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Molnupiravir—A Novel Oral Anti-SARS-CoV-2 Agent
TL;DR: Molnupiravir as mentioned in this paper is a prodrug of beta-d-N4-hydroxycytidine (EIDD-1931) and an inhibitor of RNA-dependent RNA polymerase, possesses significant activity against SARS-CoV-2.
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Potential of turmeric-derived compounds against RNA‐dependent RNA polymerase of SARS‐CoV‐2: An in-silico approach
TL;DR: In this paper, turmeric-derived compounds were chosen and subjected to in-silico analysis to evaluate their binding affinity against the RNA-dependent RNA polymerase (RdRp) complex of SARS-CoV-2.
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