Record Details

In silico-based studies on phytochemicals from native Indian plants as potential inhibitors of SARS-CoV-2

NOPR - NISCAIR Online Periodicals Repository

View Archive Info
 
 
Field Value
 
Title In silico-based studies on phytochemicals from native Indian plants as potential inhibitors of SARS-CoV-2
 
Creator Sharma, Apoorva
 
Subject Bioavailability
COVID-19
Molecular docking
Mpro
SARS-CoV-2
 
Description 653-666
This study aims to analyze the AntiCovid effect of Phytocompounds extracted from Native Indian Plant species by
computational methods such as Molecular Docking. Through this study keeping the Indian Heritage alive we characterized
the ability of these phytochemicals as inhibiting agents of the Main Protease enzyme of this Virus. The lack of any effective
treatment and the reoccurrence of cases despite Vaccination necessitates the quick provision of anti-SARS-CoV-2 drugs.
Natural substances are getting a lot of attention for SARS-CoV-2 therapy as they have proven antimicrobial activities and
are a key source for numerous antiviral drugs. Despite the fact that this virus has several identified target receptors, Main
Protease (Mpro) is crucial for viral replication. In this study, 26 phytochemicals from 10 native Indian plant species were
studied. Our docking studies demonstrated that compounds Quercetin, Withaferin A, Sominone, and Nimbin were likely to
be more favorable than the natural inhibitor N3, with binding energies of−8.42, −9.21, −9.95, and −8.88 kcal/mol,
respectively. These four candidate natural compounds were further examined for their bioavailability scoresthrough
ADMET analysis to prove the safety of these compounds as well as their drug likeliness.Through the results it was indicated
that these natural phytochemicals have a significant potential of inhibiting the SARS-CoV-2 Mpro enzyme and might be
utilized to treat SARS-CoV-2 and manage public health, subject to in vitro validation in the future.
 
Date 2022-07-01T11:03:47Z
2022-07-01T11:03:47Z
2022-06
 
Type Article
 
Identifier 0975-0959 (Online); 0301-1208 (Print)
http://nopr.niscpr.res.in/handle/123456789/60010
 
Language en
 
Publisher NIScPR-CSIR, India
 
Source IJBB Vol.59(6) [June 2022]