In Silico Analysis of Acetylcholinesterase Activity with Some Inhibitors

GH Sultanova¹, RA Ganiyeva¹, KhR Mammadova², GA Bagirzade³, SB Dadashova¹ and Deniz Kilic³*
¹Botany Institute, Ministry of Science and Education of the Republic of Azerbaijan
²Medical and Biological Physics Department, Azerbaijan Medical University
³Department of Pharmaceutical Toxicology and Chemistry, Azerbaijan Medical University
*Corresponding Author: Deniz Kilic, Department of Pharmaceutical Toxicology and Chemistry, Azerbaijan Medical University.

Published: December 10, 2024

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Abstract  

It is essential to comprehend how acetylcholinesterase (AChE) interacts with putative ligands in order to find and create drugs that will treat neurodegenerative illnesses. Using in silico molecular docking analysis, we examined the binding affinities of a number of substances to recombinant human acetylcholinesterase (PDB ID: 4EY6). These compounds included (-)-galantamine, a standard drug, pentachloronitrobenzene, sodium pentachlorophenate, Rogor (Dimethoate), trichloroacetic acid, trichlorphon, triterpenoid, saponin, and steroidal alkaloid. The results provide important new information about the possible pharmacological activity of these substances.

Keywords: Acetylcholinesterase Activity; inhibitors; in silico analysis; molecular docking

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