Table 3.

Energies of the main interactions of N1, N10-dicoumaroyl spermidine (compound 85) with amino acid residuals of binding site of COVID-19 Mpro. (M ​= ​main chain; S ​= ​side chain).

H bonds		vdW interactions
Residual	Energy	Residual	Energy
M-Ser 144	−3.50	M-Thr 25	−1.87
S-Ser 144	−2.50	S-Thr 25	−3.03
M-Cys 145	−3.50	S-His 163	−3.05
S-Cys 145	−3.85	S-His 41	−1.68
M-Phe 140	−3.50
S-Glu 166	−2.44
S-Asn 142	−2.57
M-Gly 143	−0.48