Molecular docking identification of plant-derived inhibitors of the COVID-19 main protease

Қарағанды университетінің хабаршысы. Химия сериясы

卷:103

S.S. Bhujbal¹  B. Chawale¹  M. Kale¹ 

[1] Dr. D.Y. Patil Institute of Pharmaceutical Sciences and Research, Pimpri, Pune, India;

关键词: naturalcompounds;    sars-cov-2;    efficacy;    drugtarget;    molecularmodeling;    viralproteins;    mpro;    binding affinity;   

DOI  :  10.31489/2021Ch3/37-46

来源: DOAJ

【 摘 要 】

COVID-19casesincreaseatahighrateandbecomedangerousinrecentmonths.Asaconsequence,some healthcareandresearchorganizationsareattemptingtofindaneffectivecurefortheCOVID-19outbreak. Many natural products have been reported to have powerful activity against COVID-19 in recent research studies. The primary aim of this article is to establish natural bioactive compounds with suitable antiviral properties. Lui et al. have reported in their study that SARS-Cov-2 main protease is present in a crystalline structure known as a novel therapeutic drug target. It is important to inhibit SARS-Cov-2 main protease to stop the replication of viral proteins. In this study natural compounds were screened using molecular modeling techniques to investigate probable bioactive compounds that block SARS-Cov-2. From these studies many natural compounds were found to have the potential to interact with viral proteins and show inhibitory activity against COVID-19 mainprotease(Mpro)andthesenaturalcompoundswerealsocomparedtoknownantiviraldrugssuchas Saquinavir and Remdesivir. Besides that, additional research is needed before these potential leads can be developed into natural therapeutic agents against COVID-19 to fight the epidemic.

【 授权许可】

Unknown