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. 2025 Aug 13;15(35):28721–28729. doi: 10.1039/d5ra04728e

Table 2. Binding energies and interacting amino acid residues of selected ligands docked with target receptor proteins.

Name of the ligand Propyl endopeptidase Transglycosylase
Amino acids Binding energy (kcal mol−1) Amino acids Binding energy (kcal mol−1)
Veracevin Threonine, glutamic acid, valine, lysine −9.9 Asparagine, valine −8.1
Deoxymiroestrol Arginine, glutamic acid, asparagine, serine, valine −9.0 Serine, asparagine, serine −8.0