April 11, 2020 Journal article Open Access

Arun Dev Sharma*, Inderjeet Kaur

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    <subfield code="a">Jensenone from eucalyptus essential oil as a potential inhibitor of COVID 19 corona virus infection</subfield>
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    <subfield code="a">&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;</subfield>
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