Table 3.

Docking and MDS results of selected compounds.

	Docking		MDS
Cmpd #	Distance to ASP29 (Å)	Binding Energy (kcal/mol)	Ligand RMSD (Å)
2e	3.3	−10.49	3.50 ± 0.66
2n	2.8	−10.36	3.39 ± 2.30
2o	3	−9.65	2.62 ± 0.66
7	2.5	−10.97	2.69 ± 0.33
1	2.8	−10.12	2.46 ± 0.11
2r	2.9	−10.43	3.11 ± 0.82
2t	3.2	−9.87	2.25 ± 0.32
2u	2.6	−10.5	3.24 ± 0.89