Table 4.

SP and XP Glide Scores for the Best Docked Compounds/Protein Complexes with MM/GBSA Binding Energy Calculations

	SP Docking			XP Docking
Ligand	Glide Score	Glide Energy (Kcal mol−1)	MM/GBSA Binding Energy (Kcal mol−1)	Glide Score	Glide Energy (Kcal mol−1)	MM/GBSA Binding Energy (Kcal mol−1)
Colchicine	−11.572	−64.602	−88.10	−7.707	−40.594	−20.81
F6	−9.713	−65.402	−53.00	−12.132	−61.975	−52.68
F7	−10.166	−54.596	−43.56	−12.411	−50.704	−49.73
F11	−10.084	−54.034	−18.79	−13.516	−54.718	−12.25