Research Article
Potent In Vitro Phosphodiesterase 1 Inhibition of Flavone Isolated from Pistacia integerrima Galls
Table 2
The docking score and interaction profile of compound 1 and EDTA.
| | Compound | AutoDock Vina (kcal/mol) | GEM DOCK (kcal/mol) | Molecular interactions for compound 1 | | Hydrophobic | Hydrogen bonding | | B. Affinity | Total energy | VDW |
| | 1 | -7.6 | -95 | -82 | Thr185, Phe186, Leu219, Phe250, Trp251, Pro252, Glu255, Tyr269, Tyr300, Asp305, and Thr306 | Asn206 (3.13 Å) Lys271 (3.14 Å) | | EDTA | -6.5 | -89 | -60 |
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