Evaluation of inhibitory potential of phosphoramide compound OP[NH-۲Py(۴-CH۳)]۳ against acetylcholinesterase and urease enzymes by usingmolecular docking method

Phosphoramide compounds with the main skeleton O═P─N have received much attention invarious medical fields such as their application as acetylcholinesterase and urease inhibitors [۱,۲].Therefore, in the present work, a compound of the phosphoramide family with the formulaOP[NH-۲Py(۴-CH۳)]۳ (tris(۴-methylpyridin-۲-yl)phosphoric triamide) was selected and itsinhibitory effect against acetylcholinesterase (۱EEA) and urease (۴GY۷) enzymes is investigatedby using the molecular docking method. The results show that this compound with the bindingenergy of −۷.۴ kcal/mol can be suggested as a suitable candidate to inhibit acetylcholinesteraseenzyme. Moreover, the appropriate inhibitory effect of this compound on urease enzyme isconfirmed by the binding energy of −۶.۲ kcal/mol.