Jensenone from eucalyptus essential oil as a potential inhibitor of COVID 19 corona virus infection
Arun Dev Sharma
Abstract
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,