Table 4.

Binding free energy for Main protease complexes with standard inhibitor and lead phytochemical–bound complexes.

BE type	BE values MLP	BE values MHA	BE values MIQ
ΔE binding (kj/mol)	-154.850 +/− 16.491	-122.513 +/− 14.118	-156.650 +/− 12.970
SASA (kj/mol)	-25.582 +/− 1.701	-15.250 +/− 1.268	-19.524 +/− 1.316
ΔE polar solvation (kj/mol)	145.474 +/− 18.030	49.261+/− 8.881	71.794 +/− 13.762
ΔE Electrostatic (kj/mol)	-29.830 +/− 9.759	-7.357+/− 7.080	-5.438+/− 7.347
ΔE Van der Waal (kj/mol)	-244.912 +/− 16.819	-149.166+/− 12.217	-203.481 +/− 14.122

BE, Binding Energy; MLP, M^pro-Lopinavir complex; MHA, M^pro-10-Hydroxyaloin A complex; MIQ, M^pro- Isoquercetin complex.