<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE article PUBLIC "-//NLM//DTD JATS (Z39.96) Journal Publishing DTD v1.0 20120330//EN" "http://jats.nlm.nih.gov/publishing/1.0/JATS-journalpublishing1.dtd">
<!--<?xml-stylesheet type="text/xsl" href="article.xsl"?>-->
<article article-type="research-article" dtd-version="1.0" xml:lang="en"
    xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"
    xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
    <front>
        <journal-meta>
            <journal-id journal-id-type="issn">0973-7510</journal-id>
            <journal-title-group>
                <journal-title>Journal of Pure and Applied Microbiology</journal-title>
            </journal-title-group>
            <issn pub-type="epub">2581-690X</issn>
            <publisher>
                <publisher-name>DR. M.N. Khan</publisher-name>
            </publisher>
        </journal-meta>
        <article-meta>
            <article-id pub-id-type="doi">10.22207/JPAM.15.2.22</article-id>
            <title-group>
                <article-title>In Silico Analysis of Forskolin as a Potential Inhibitor of SARS-CoV-2</article-title>
            </title-group>
            <contrib-group>
				
				
				<contrib contrib-type="author">
                    <name>
                        <surname>Kumari</surname>
                        <given-names>Arti</given-names>
                    </name>
                    <xref ref-type="aff" rid="aff-1"/>
					                </contrib>
									
									
									
									<contrib contrib-type="author">
                    <name>
                        <surname>Kumar</surname>
                        <given-names>Prashant</given-names>
                    </name>
                    <xref ref-type="aff" rid="aff-2"/>
					                </contrib>
									
									
									
									<contrib contrib-type="author">
                    <name>
                        <surname>Kumar</surname>
                        <given-names>Manindra</given-names>
                    </name>
                    <xref ref-type="aff" rid="aff-3"/>
					                </contrib>
									
									
									
									<contrib contrib-type="author">
                    <name>
                        <surname>Kumar</surname>
                        <given-names>Jainendra</given-names>
                    </name>
                    <xref ref-type="aff" rid="aff-4"/>
					                </contrib>
									
									
						
								            		
            </contrib-group>
			
			
          <aff id="aff-1"> Department of Microbiology, Patna Women’s College (Autonomous) Patna University,
Patna, Bihar – 800001, India.</aff>
		  <aff id="aff-2"> Department of Zoology, Ramjaipal College, Chapra, Bihar, India.</aff>
		  <aff id="aff-3"> Former Faculty member, Institute of Modern Biology and Applied Sciences, Patna, Bihar, India.</aff>
		  <aff id="aff-4"> Former Professor, Department of Botany and Biotechnology, Patliputra University, Patna, Bihar, India.</aff>
		  
			
			
            <pub-date publication-format="electronic" date-type="pub" iso-8601-date="2021-05-13">
                <day>13</day>
				<month>05</month>
                <year>2021</year>
            </pub-date>
            <volume>15</volume>
            <issue>2</issue>
            <fpage>709</fpage>
            <lpage>715</lpage>
            <permissions>
                <copyright-statement>Copyright &#x00A9; 2021 The Author(s)</copyright-statement>
                <copyright-year>2021</copyright-year>
                <license license-type="open-access"
                    xlink:href="https://creativecommons.org/licenses/by/4.0/">
                    <license-p>This is an open access article distributed under the terms of the Creative Commons Attribution 4.0 International License which permits unrestricted use, sharing, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.<uri 
					xlink:href="https://creativecommons.org/licenses/by/4.0/"
                            >https://creativecommons.org/licenses/by/4.0/</uri></license-p>
                </license>
            </permissions>
            <self-uri xlink:href="https://microbiologyjournal.org/in-silico-analysis-of-forskolin-as-a-potential-inhibitor-of-sars-cov-2/"/>
            <abstract>
                <p>Coronavirus disease 2019 (COVID–19) has spread rapidly as global pandemic affecting 187 countries/ regions and emerged as worldwide health crisis. Potential antiviral drugs used for the SARS -CoV-2 in clinical treatments have side effects. However, emergency vaccines are in use but despite that increase in the coronavirus cases are alarming. Thus, it is utmost need of safer antiviral agent to treat or inhibit the viral infection. Forskolin has been reported as a possible antiviral-agent. This molecule was docked with ACE2 receptor of human which is the target for the binding of S1 unit of viral S protein of SARS-CoV- 2. In silico docking was carried out on SwissDock, PatchDock and FireDock servers. The docked ACE2 structure was further docked with the RBD of the spike protein. Forskolin is able to H-bond with the hACE2 and ACE2-forskolin fails to interact with the receptor-binding domain (RBD) of the Spike protein of SARS-CoV-2. Instead, viral RBD is repulsed by the diterpene molecule through obliteration and reciprocated binding. We report first that forskolin plays a crucial role in the inhibition of protein-protein interaction of RBD and ACE2 when docked with either of the protein.</p>
		</abstract>
		<kwd-group>
        <title>Keywords</title>
        <kwd>SARS-CoV-2</kwd>
		<kwd>S protein RBD</kwd>
		<kwd>human ACE2 receptor</kwd>
        <kwd>forskolin</kwd>
		<kwd>Plectranthus barbatus</kwd>
		<kwd>Coleus forskohlii</kwd>
			</kwd-group>
        </article-meta>
    </front>
    </article>
