Table 2.

Binding free energy in individual terms for both compounds bound to RdRp-RNA generated by MM-PBSA method.

S. No.	RdRp-RNA-Ligand Complexes	ΔE binding(kJ/mol)	ΔE polar solvation(kJ/mol)	SASA (kJ/mol)	ΔE Electrostatic (kJ/mol)	ΔE Van der Waals (kJ/mol)
1.	RdRp-curcumin	−42.162	101.798	−13.496	−18.137	−112.327
2.	RdRp-diacetylcurcumin	−71.964	116.315	−19.107	−14.698	−154.474
3.	RNA-curcumin	−40.306	27.351	−6.539	−11.487	−49.631
4.	RNA-diacetylcurcumin	−80.718	31.556	−8.498	−31.535	−72.242