Table 2.  Molecular docking results of curcumin and its derivatives with SARS-CoV Spike protein (6CRV). 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   –10.1   –0.14   –8.24   –10.9724
BHBC  –8.28  –0.13  –7.87  –3.42239
MNC  –8.01  –0.43  –6.98  –8.01452
BDMC   –10.98   –0.18   –8.94   –14.0467
1  –5.12  –0.25  –4.17  0
2   –8.55   –0.41   –6.56   –18.4317
3  –6.56  –0.21  –4.92  –11.1148
4   –8.69   –0.13   –6.94   –19.1539
5  –7.03  –0.19  –5.93  –8.47153
6  –6.59  –0.36  –5.12  –7.41531
7  –7.96  –0.21  –6.14  –7.98548
8  –7.55  –0.19  –5.14  –6.14537
9  –6.91  –0.21  –5.18  0
10  –7.75  –0.21  –6.14  –6.73473
11  –8.02  –0.19  –6.19  –17.2465
12  –7.85  –0.38  –6.25  –14.6321
13  –5.94  –0.29  –4.12  –11.3576
14   –8.75   –0.25   –7.19   –21.1412
15  –7.87  –0.38  –7.26  –0.473228
16   –8.47   –0.25   –6.88   –8.458912
DMC  –7.89  –0.21  –6.41  –10.47057
FAC  –7.17  –0.36  –5.15  –9.14873
IBC  –7.91  –0.23  –7.17  –6.90341
IVC  –7.43  –0.44  –6.67  –19.9864
SYC  –6.82  –0.26  –5.45  –9.44678
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.