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<p style="text-align: justify;">Evaluation of plant-derived compounds to inhibit COVID-19 through <em>in silico</em> studies</p>

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Title Statement <p style="text-align: justify;">Evaluation of plant-derived compounds to inhibit COVID-19 through <em>in silico</em> studies</p>
 
Added Entry - Uncontrolled Name Paarakh, M Padmaa; TheOxford College of Pharmacy
S D, Shruthi ; Microbiology and Molecular Biology Lab, BioEdge Solutions, Bangalore 560058, Karnataka, India
B S, Sharath ; Department of PG studies and research in Biotechnology and Bioinformatics, Kuvempu University, Shankaraghatta, Shivamogga 577451, Karnataka, India
President, Children’s Education Society [Regd.], Bangalore
 
Uncontrolled Index Term In Silico technique
COVID-19; In silico studies; Plant-derived compounds; SARS-CoV-2.
 
Summary, etc. <p style="text-align: justify;">The recent threat which has received worldwide attention is COVID-19, a rapidly spreading new strain of Coronavirus. It has affected more than 176 countries and due to the lack of efficacious drugs or vaccines against SARS-CoV-2, it has further worsened the situation everywhere. After infecting the host, the ssRNA genome of SARS-CoV-2 is translated into a large polyprotein which will be further processed into different nonstructural proteins to form a viral replication complex by the virtue of virus-specific proteases namely main protease (3-CL protease) and papain protease. The crystallized form of SARS-CoV-2 main protease (Mpro) is demonstrated to be a novel therapeutic drug target according to current research. The present study was conducted to evaluate the efficacy of few plant-based bioactive compounds against COVID-19 Mpro (PDB ID: 6LU7: Resolution 2.16 Å) by molecular docking study. Molecular docking investigations were performed by using Auto DockVina to analyze the inhibition capacity of these compounds against COVID-19 as a whole complex and also in the absence of Chain C which is present with protein as a peptide. According to the obtained results, Ritonavir and Curcuminwere found to be more effective on COVID-19 than nelfinavir which is an anti-HIV drug. This is followed by Glycyrrhizin and Piperine, which correlates with COVID-19 as a whole complex and also in the absence of Chain C. So, this study will pave a way for performing more advanced experimental research and to evaluate the natural compounds to cure COVID-19.</p>
 
Publication, Distribution, Etc. Indian Journal of Natural Products and Resources (IJNPR) [Formerly Natural Product Radiance (NPR)]
2021-04-09 16:24:48
 
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http://op.niscair.res.in/index.php/IJNPR/article/view/34500
 
Data Source Entry Indian Journal of Natural Products and Resources (IJNPR) [Formerly Natural Product Radiance (NPR)]; ##issue.vol## 12, ##issue.no## 1 (2021): March 2021
 
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