Table 3.  Molecular docking analysis of curcumin and its derivatives with SARS-CoV-2 Spike protein Receptor binding domain (6M0J). The top hits with the binding energy lesser than -8.4 are in bold.
Compound  Binding Energy (ΔG)  Ligand Efficiency  Intermolecular energy  XPH-Bond
Curcumin   –9.81   –0.15   –8.35   –15.1512
BHBC  −5.33  –0.13  –7.96  0
MNC  –7.96  –0.27  –7.38  –4.24687
BDMC   –10.01   –0.12   –9.18   –13.9824
1  –7.58  –0.36  –6.19  –18.3489
2   –8.81   –0.31   –8.38   1.2654
3  –6.14  –0.34  –5.45  –6.95102
4   –8.88   –0.18   –7.98   –14.0321
5  –6.23  –0.26  –5.88  –3.5891
6  –7.16  –0.37  –6.15  –10.1688
7  –6.89  –0.25  –5.98  –9.12515
8  –5.49  –0.12  –3.90  –5.92265
9  –6.92  –0.18  –6.22  –6.96719
10  –7.03  –0.24  –6.33  –7.0
11  –6.88  –0.27  –6.23  –6.44363
12  –7.95  –0.41  –5.70  –2.5581
13  –6.11  –0.39  –5.42  –7.34943
14  –7.45  –0.19  –6.40  –10.5367
15  –5.74  –0.39  –5.51  –2.36748
16  –7.83  –0.27  –7.48  –6.64321
DMC  –5.98  –0.19  –5.38  –5.99913
FAC  –5.85  –0.38  –5.25  –6.46613
IBC  –6.65  –0.15  –6.20  –1.52841
IVC   –8.96   –0.43   –7.73   –12.2707
SYC  –5.87  –0.29  –5.43  –4.4411
Abbreviations: BHBC: 3-5-di-tert-butyl-4-hydroxybenzaldehyde curcumin, MNC: 4-methoxy-1-naphthaldehyde curcumin, BDMC: Bis-demethoxy curcumin, DMC: Demethoxy curcumin, FAC: Ferulic-acid curcumin, IBC: Ibuprofen curcumin, IVC: Isovanillin curcumin, SYC: Syringaldehyde curcumin.