TABLE 7.

Resulted parameters (kcal mol⁻¹) from interaction between ligand and main protease of Autodock Vina for the studied complexes 1–3 before and after molecular dynamics (MD)

Compound	Affinity before MD	Affinity after MD
1	−6.1	−8.0
2	−5.8	−6.4
3	−4.7	−5.3