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Table 3 Re-docking score of co-crystallized ligand butyrylthiocholine (BCh) inside the binding pocket of BChE (PDB ID 1P0P)

From: Molecular docking simulation studies on potent butyrylcholinesterase inhibitors obtained from microbial transformation of dihydrotestosterone

Serial number Conformations Binding free energy (Kcal/mol) RMSD (Ǻ)
1 BCh -13.11 1.96
2 BCh -11.32 1.51
3 BCh -13.91 0.65