Arun Dev Sharma*, Inderjeet Kaur
2020-04-11
<p>COVID-19, a member of corona virus family is spreading its tentacles<br>
across the world due to lack of drugs at present. However, the main<br>
viral proteinase (Mpro/3CLpro) has recently been regarded as a<br>
suitable target for drug design against SARS infection due to its vital<br>
role in polyproteins processing necessary for coronavirus<br>
reproduction. The present in silico study was designed to evaluate<br>
the effect of Jensenone, a essential oil component from eucalyptus oil,<br>
on Mpro by docking study. In the present study, molecular docking<br>
studies were conducted by using 1-click dock and swiss dock tools.<br>
Protein interaction mode was calculated by Protein Interactions<br>
Calculator.The calculated parameters such as binding energy, and<br>
binding site similarity indicated effective binding of Jensenone to<br>
COVID-19 proteinase. Active site prediction further validated the<br>
role of active site residues in ligand binding. PIC results indicated<br>
that, Mpro/ Jensenone complexes forms hydrophobic interactions,<br>
hydrogen bond interactions and strong ionic interactions. Therefore,<br>
Jensenone may represent potential treatment potential to act as<br>
COVID-19 Mpro inhibitor. However, further research is necessary to<br>
investigate their potential medicinal use.<br>
Keywords: COVID-19, Essential oil,</p>
https://doi.org/10.5281/zenodo.3748477
oai:zenodo.org:3748477
Zenodo
https://doi.org/10.5281/zenodo.3748476
info:eu-repo/semantics/openAccess
Creative Commons Attribution 4.0 International
https://creativecommons.org/licenses/by/4.0/legalcode
Jensenone from eucalyptus essential oil as a potential inhibitor of COVID 19 corona virus infection
info:eu-repo/semantics/article