Interactions Eucalyptus Oil with the Hcov-229E as New Potential Anti-Coronavirus: Molecular Docking Studies
- Resource Type
- Authors
- Mario Rowan Sohilait; Charlie Ester de Fretes
- Source
- Subject
- coronavirus, eucalyptus oil, HCoV-229E, molecular docking
virus diseases
- Language
- English
Chemical composition in eucalyptus essential oil was evaluated for protein 6U7H HCoV-229E as anti-coronavirus. Six compounds and two anti-viral drugs approved by the FDA were tested in this study. The designed eucalyptus oil component chemistry significantly enhances HCoV-229E enzyme selectivity. The two ligands of 1.8-cyneol and favipiravir could dock into the active site of HCoV-229E successfully. The binding energies of -4.5 and -4.4 kcal/mol were obtained for two compounds respectively. Molecular docking study revealed the binding orientations of compounds in the active sites of HCoV-229E towards the design of potent inhibitors