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. 2023 Aug 9;31(9):101744. doi: 10.1016/j.jsps.2023.101744

Table 3.

Binding energies and protein–ligand interaction details of PBP2a with 2-chlorounguinol, unguinol, nidulin and (E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl) benzoic acid by AutoDock Vina.

Compounds Binding free energy (kcal/mol)
2-chlorounguinol −6.7
unguinol −6.6
nidulin −6.0