A Theoretical Investigation of the Effect of Some Active Agents in Ecballium elaterium on AChE and BChE

Abstract

It is a herbal medicine that is commonly used in the treatment of sinusitis among the people in the Mediterranean region of Ecballium elaterium, and has many pharmacological uses. The main therapeutic application for the treatment of Alzheimer's disease is the inhibition of AChE and BChE, i.e., cholinesterase enzymes. AChE and BChE are hydrolytic enzymes that hydrolyze the neurotransmitter acetylcholine. There are many active substances in painful heifers and it is very costly and time-consuming to isolate and investigate their individual activities. In order to shorten the process and eliminate the cost, the molecular bonding energies of some active substances in AChE and BChE were determined to determine the chemical activity of the molecules and the inhibitory effect on AChE and BChE by using the docking method related to the interactions and inhibition effects of the molecules, which have recently yielded very close results with experimental studies. theoretically compared.