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Evaluation of plant-derived compounds to inhibit COVID-19 through in silico studies

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Title Evaluation of plant-derived compounds to inhibit COVID-19 through in silico studies
 
Creator Paarakh, M Padmaa
Shruthi, SD
Sharath, B S
 
Subject COVID-19
In silico studies
Plant-derived compounds
SARS-CoV-2
 
Description 26-33
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.
 
Date 2021-04-08T08:54:28Z
2021-04-08T08:54:28Z
2021-03
 
Type Article
 
Identifier 0976-0512 (Online); 0976-0504 (Print)
http://nopr.niscair.res.in/handle/123456789/56765
 
Language en_US
 
Relation Int. cl. (2015.01)- A61K 31/00, A61K 36/00
 
Rights CC Attribution-Noncommercial-No Derivative Works 2.5 India
 
Publisher NISCAIR-CSIR, India
 
Source IJNPR Vol.12(1) [March 2021]