Research Article
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 |
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