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. 2022 Sep 13;367:110179. doi: 10.1016/j.cbi.2022.110179

Table 2.

Molecular docking of compounds with target proteins.

S.No. Ligands Envelope protein Membrane protein Spike protein ACE2
1. Cinnamaldehyde −5.75 −20.25 −25.87 −30.66
2. Eucalyptol −15.09 −21.98 NA −12.17
3. Eugenol −17.87 −24.58 −22.04 −26.87
4. Cis-beta-Ocimene −12.40 −18.53 −14.32 −25.28
5. Trans-Beta-Ocimene −25.86 −23.97 −16.62 −22.76
6. Limonene −14.95 −18.33 −17.87 −23.60
7. Bicyclo (4.1.0) Hept-3-ene 3,7,7 Trimethyl −21.70 −20.27 −17.30 −15.75
8. m-Cymene −19.83 −20.85 −18.20 −24.67
9. p-Cymene −19.86 −24.31 −18.55 −22.21
10. Thymol −18.65 −24.91 −19.79 −28.22
11. Geranial −18.36 −22.44 −22.99 −30.59
12. Known inhibitor/agonist −30.85 (DRI-C23041) −12.71 (metformin)

**binding energy values (in kcal/mol) of protein-ligand complexes.