April 11, 2020 Journal article Open Access

Arun Dev Sharma*, Inderjeet Kaur

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{
  "publisher": "Zenodo", 
  "DOI": "10.5281/zenodo.3748477", 
  "author": [
    {
      "family": "Arun Dev Sharma*, Inderjeet Kaur"
    }
  ], 
  "issued": {
    "date-parts": [
      [
        2020, 
        4, 
        11
      ]
    ]
  }, 
  "abstract": "<p>COVID-19, a member of corona virus family is spreading its tentacles<br>\nacross the world due to lack of drugs at present. However, the main<br>\nviral proteinase (Mpro/3CLpro) has recently been regarded as a<br>\nsuitable target for drug design against SARS infection due to its vital<br>\nrole in polyproteins processing necessary for coronavirus<br>\nreproduction. The present in silico study was designed to evaluate<br>\nthe effect of Jensenone, a essential oil component from eucalyptus oil,<br>\non Mpro by docking study. In the present study, molecular docking<br>\nstudies were conducted by using 1-click dock and swiss dock tools.<br>\nProtein interaction mode was calculated by Protein Interactions<br>\nCalculator.The calculated parameters such as binding energy, and<br>\nbinding site similarity indicated effective binding of Jensenone to<br>\nCOVID-19 proteinase. Active site prediction further validated the<br>\nrole of active site residues in ligand binding. PIC results indicated<br>\nthat, Mpro/ Jensenone complexes forms hydrophobic interactions,<br>\nhydrogen bond interactions and strong ionic interactions. Therefore,<br>\nJensenone may represent potential treatment potential to act as<br>\nCOVID-19 Mpro inhibitor. However, further research is necessary to<br>\ninvestigate their potential medicinal use.<br>\nKeywords: COVID-19, Essential oil,</p>", 
  "title": "Jensenone from eucalyptus essential oil as a potential inhibitor of COVID 19 corona virus infection", 
  "type": "article-journal", 
  "id": "3748477"
}