<?xml version="1.0" encoding="utf-8"?>
<Journal>
<Journal-Info>
<name>International Journal of Pharma and Bio Sciences</name>
<website>ijpbs.net</website>
<email>editorijpbs@rediffmail.com (or) editorofijpbs@yahoo.com (or) prasmol@rediffmail.com</email>
</Journal-Info>
<article>
<article-id pub-id-type='other'>10.22376/ijpbs.2019.10.1.p1-12</article-id>
<issue_number>Volume 12 Issue 2</issue_number>
<issue_period>2021 (April-June)</issue_period>
<title><b>Molecular Docking study to Identify Potent Fungal Metabolites as Inhibitors against SARS-CoV-2 Main Protease Enzyme</b></title>
<abstract>Severe acute respiratory syndrome (SARS) is a viral respiratory disease caused by a SARS-associated coronavirus and SARS-CoV-2 has proven to be a pandemic worldwide. Coronaviruses are a type of enveloped virus. They are basically single-stranded and positive-sense RNA viruses which belongs to the subfamily  lessThan i greaterThan Coronavirinae lessThan /i greaterThan . Structure of SARS-CoV-2 is predicted to be the same as SARS-CoV due to high sequence similarity. SARS-CoV-2 is proven to be a major pandemic creator and affected the world at an exponential rate. The genome of COVID19 codes for the main protease 6LU7, is essential for viral replication and multiplication. To get a possible antiviral drug(s), nowadays is the major concern. In our study we screened ten fungal metabolites such as Aspirochlorine, Aflatoxin B1, Alpha-Cyclopiazonic acid, Sporogen, Asperfuran, Aspergillomarasmine A, Maltoryzine, Kojic acid, Aflatrem and Ethyl 3-nitropropionic acid against main protease 6LU7. These molecules were of fungal origin from  lessThan i greaterThan Aspergillus flavus  lessThan /i greaterThan and  lessThan i greaterThan Aspergillus oryzae lessThan /i greaterThan . Aspergillomarasmine A exhibited the docking score of – 6.02 Kcal/mol, almost nearer to presently used drug Chloroquine (-6.29 Kcal/mol). Second highest docking score was found for Asperfuran (-5.5 Kcal/mol), whereas Aflatoxin B1 provided docking score was -5.0 Kcal/mol. We found similar docking score -5.4 Kcal/mol for Asperfuran, Maltoryzine and Kojic acid. Aspirochlorine and Ethyl 3-nitropropionic acid exhibited docking score were -5.3 Kcal/mol and -5.1 Kcal/mol respectively. These natural bioactive compounds could be tested in near future for their ability to inhibit viral growth both in  lessThan i greaterThan invitro lessThan /i greaterThan  as well as  lessThan i greaterThan invivo lessThan /i greaterThan  study.</abstract>
<authors>Dr Diptendu Sarkar</authors>
<keywords>SARS-CoV-2, Main Protease Enzyme 6LU7, Aspirochlorine, Aflatoxin B1, Alpha-Cyclopiazonic acid, Sporogen, Asperfuran, Aspergillomarasmine A, Maltoryzine, Kojic acid, Aflatrem.</keywords>
<pages>78-85</pages>
</article>
</Journal>
