Exploring the Targets of Novel Corona Virus and Docking-based Screening of Potential Natural Inhibitors to Combat COVID-19
- PMID: 36281864
- DOI: 10.2174/1568026623666221020163831
Exploring the Targets of Novel Corona Virus and Docking-based Screening of Potential Natural Inhibitors to Combat COVID-19
Abstract
There is a need to explore natural compounds against COVID-19 due to their multitargeted actions against various targets of nCoV. They act on multiple sites rather than single targets against several diseases. Thus, there is a possibility that natural resources can be repurposed to combat COVID-19. However, the biochemical mechanisms of these inhibitors were not known. To reveal the mode of anti-nCoV action, structure-based docking plays a major role. The present study is an attempt to explore various potential targets of SARS-CoV-2 and the structure-based screening of various potential natural inhibitors to combat the novel coronavirus.
Keywords: COVID-19; Docking- based screening.; Natural inhibitors; Non-structural proteins; SARS-CoV-2 potential targets; Structural proteins.
Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.
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References
-
- Zhou P.; Yang X.L.; Wang X.G.; Hu B.; Zhang L.; Zhang W.; Si H.R.; Zhu Y.; Li B.; Huang C.L.; Chen H.D.; Chen J.; Luo Y.; Guo H.; Jiang R.D.; Liu M.Q.; Chen Y.; Shen X.R.; Wang X.; Zheng X.S.; Zhao K.; Chen Q.J.; Deng F.; Liu L.L.; Yan B.; Zhan F.X.; Wang Y.Y.; Xiao G.F.; Shi Z.L.; A pneumonia outbreak associated with a new coronavirus of probable bat origin. Nature 2020,579(7798),270-273 - DOI - PubMed
-
- King A.M.Q.; Adams M.J.; Carstens E.B.; Lefkowitz E.J.; Virus Taxonomy Ninth report of the International Committee on Taxonomy of Viruses 2012,486-487
-
- Simmonds P.; Adams M.J.; Benkő M.; Breitbart M.; Brister J.R.; Carstens E.B.; Davison A.J.; Delwart E.; Gorbalenya A.E.; Harrach B.; Hull R.; King A.M.Q.; Koonin E.V.; Krupovic M.; Kuhn J.H.; Lefkowitz E.J.; Nibert M.L.; Orton R.; Roossinck M.J.; Sabanadzovic S.; Sullivan M.B.; Suttle C.A.; Tesh R.B.; van der Vlugt R.A.; Varsani A.; Zerbini F.M.; Virus taxonomy in the age of metagenomics. Nat Rev Microbiol 2017,15(3),161-168 - DOI - PubMed
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