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. 2025 Jun 5;43:102074. doi: 10.1016/j.bbrep.2025.102074

Table 1.

Molecular docking binding energies of designed compounds (9a-o).

Compound Ar Docking Scores (Kcal/Mol)
9a Ph −9.2
9b 2-ClC6H4 −8.9
9c 3-ClC6H4 −9.0
9d 4-ClC6H4 −8.9
9e 2-F-3-H3C–C6H3 −9.0
9f 2-H3CC6H4 −8.8
9g 2-H3CO–C6H4 −8.6
9h 4-H3CO–C6H4 −8.7
9i 2-F-3-Br-C6H3 −9.0
9j 4-FC6H4 −9.4
9k 2-F3C–C6H4 −9.0
9l 4-F3C–C6H4 −9.1
9m 3.4-diMeC6H3 −9.1
9n 4-BrC6H4 −9.3
9o 3-F3C-4-Br-C6H3 −9.2
Co-Crystal PRU −7.7
Acarbose −7.8