Paper Details

Name: Arun Dev Sharma, Inderjeet Kaur
Email: arundevsharma47@gmai.com
Country: India

Year: 2020
Volume: Volume-7, Issue-1 (Jan-June)
DOI: doi.org/10.5281/zenodo.3748477

COVID-19, a member of corona virus family is spreading its tentacles
across the world due to lack of drugs at present. However, the main
viral proteinase (Mpro/3CLpro) has recently been regarded as a
suitable target for drug design against SARS infection due to its vital
role in polyproteins processing necessary for coronavirus
reproduction. The present in silico study was designed to evaluate
the effect of Jensenone, a essential oil component from eucalyptus oil,
on Mpro by docking study. In the present study, molecular docking
studies were conducted by using 1-click dock and swiss dock tools.
Protein interaction mode was calculated by Protein Interactions
Calculator.The calculated parameters such as binding energy, and
binding site similarity indicated effective binding of Jensenone to
COVID-19 proteinase. Active site prediction further validated the
role of active site residues in ligand binding. PIC results indicated
that, Mpro/ Jensenone complexes forms hydrophobic interactions,
hydrogen bond interactions and strong ionic interactions. Therefore,
Jensenone may represent potential treatment potential to act as
COVID-19 Mpro inhibitor. However, further research is necessary to
investigate their potential medicinal use.