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

Table 4 Molecular docking studies of biotransformed DHT derivatives inside the binding cavity of BChE (PDB ID 1P0P)

Compounds	Inhibition potency	IC₅₀ ± SEM [μM]	Binding free energy (Kcal/mol)
1	Inactive	NA^c	-6.64
2	Inactive	NA^c	-6.73
3	Inactive	NA^c	-6.43
4	Active	109.4 ± 1	-6.70
5	Active	11.8 ±0.5	-6.74
6	Active	20.5 ±0.2	-6.57
7	Active	12.9 ±0.7	-6.82
Galanthamine (Standard)	Active	4.9 ± 0.3	-6.26

ISSN: 2661-801X