Cholinesterase Inhibition Activity and Molecular Docking Study of Eugenol Derivatives

Autor:	Asnuzilawati Asari, Habsah Mohamad, Hanis Mohd Yusoff, Mariya al-Rashida, Khairunisa Mohd Zamli, Vikneswaran Murugaiyah, Kooi Yeong Khaw, Hasnah Osman, Nurul Huda Abdul Wahab
Rok vydání:	2021
Předmět:	Multidisciplinary Aché Stereochemistry Substituent Inhibitory postsynaptic potential Acetylcholinesterase language.human_language Eugenol chemistry.chemical_compound chemistry Docking (molecular) language IC50 Butyrylcholinesterase
Zdroj:	Sains Malaysiana. 50:1037-1045
ISSN:	2735-0118 0126-6039
DOI:	10.17576/jsm-2021-5004-14
Popis:	The study was conducted to explore the anticholinesterase inhibition property of eugenol derived molecules. Ten eugenol derivatives were synthesized and evaluated for the inhibitory activities against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) by Ellman’s method. Most of the tested derivatives showed higher inhibition on BChE than AChE, however, their overall inhibitory activity was weak. In contrast, three derivatives (compounds 3,6,9) showed higher and good AChE inhibitory activity of more than 50% inhibition at 10 μg/mL. Among them, compound 9bearing a ethyl substituent at para position of the benzoyl ring showed the most potent AChE inhibition, with IC50 of 5.64 μg/mL. Ligand-protein docking simulation was also performed for the most active derived molecules (compounds 3,6,9).
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::c7a557e7ba0c1592f71fae52a933d63a https://doi.org/10.17576/jsm-2021-5004-14 Zobrazit plný text záznamu