In Silico Design of Human IMPDH Inhibitors Using Pharmacophore Mapping and Molecular Docking Approaches

Table 5

The glide score of hit compounds compared with MPA and VX-497.

Comp.	Glide XP Gscore (kcal⋅mol^−1)	Glide energy
(1) ZINC02090792	−7.80	−59.779
(2) ZINC00048033	−7.58	−59.395
(3) ZINC00822338	−7.57	−64.007
(4) ZINC08714541	−7.17	−58.716
(5) ZINC06662648	−7.06	−60.263
(6) ZINC00686714	−6.98	−64.254
(7) ZINC00648305	−6.95	−55.144
(8) ZINC02081544	−6.93	−62.507
(9) ZINC00668789	−6.90	−57.154
(10) ZINC02776094	−6.88	−55.596
(11) MPA	−6.59	−54.289
(12) VX497	−7.56	−60.157