April 11, 2020 Journal article Open Access

Arun Dev Sharma*, Inderjeet Kaur

DataCite XML Export

<?xml version='1.0' encoding='utf-8'?>
<resource xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://datacite.org/schema/kernel-4" xsi:schemaLocation="http://datacite.org/schema/kernel-4 http://schema.datacite.org/meta/kernel-4.1/metadata.xsd">
  <identifier identifierType="DOI">10.5281/zenodo.3748477</identifier>
  <creators>
    <creator>
      <creatorName>Arun Dev Sharma*, Inderjeet Kaur</creatorName>
      <givenName>Inderjeet Kaur</givenName>
      <familyName>Arun Dev Sharma*</familyName>
    </creator>
  </creators>
  <titles>
    <title>Jensenone from eucalyptus essential oil as a potential inhibitor of COVID 19 corona virus infection</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2020</publicationYear>
  <dates>
    <date dateType="Issued">2020-04-11</date>
  </dates>
  <resourceType resourceTypeGeneral="JournalArticle"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/3748477</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.3748476</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 International</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;COVID-19, a member of corona virus family is spreading its tentacles&lt;br&gt;
across the world due to lack of drugs at present. However, the main&lt;br&gt;
viral proteinase (Mpro/3CLpro) has recently been regarded as a&lt;br&gt;
suitable target for drug design against SARS infection due to its vital&lt;br&gt;
role in polyproteins processing necessary for coronavirus&lt;br&gt;
reproduction. The present in silico study was designed to evaluate&lt;br&gt;
the effect of Jensenone, a essential oil component from eucalyptus oil,&lt;br&gt;
on Mpro by docking study. In the present study, molecular docking&lt;br&gt;
studies were conducted by using 1-click dock and swiss dock tools.&lt;br&gt;
Protein interaction mode was calculated by Protein Interactions&lt;br&gt;
Calculator.The calculated parameters such as binding energy, and&lt;br&gt;
binding site similarity indicated effective binding of Jensenone to&lt;br&gt;
COVID-19 proteinase. Active site prediction further validated the&lt;br&gt;
role of active site residues in ligand binding. PIC results indicated&lt;br&gt;
that, Mpro/ Jensenone complexes forms hydrophobic interactions,&lt;br&gt;
hydrogen bond interactions and strong ionic interactions. Therefore,&lt;br&gt;
Jensenone may represent potential treatment potential to act as&lt;br&gt;
COVID-19 Mpro inhibitor. However, further research is necessary to&lt;br&gt;
investigate their potential medicinal use.&lt;br&gt;
Keywords: COVID-19, Essential oil,&lt;/p&gt;</description>
  </descriptions>
</resource>