Cholinesterase inhibition activity and molecular docking study of eugenol derivatives

Khairunisa Mohd Zamli, and Asnuzilawati Asari, and Hanis Mohd Yusof, and Nurul Huda Abdul Wahab, and Kooi, Yeong Khaw and Vikneswaran Murugaiyah, and al-Rashida, Mariya and Habsah Mohamad, and Hasnah Osman, (2021) Cholinesterase inhibition activity and molecular docking study of eugenol derivatives. Sains Malaysiana, 50 (4). pp. 1037-1045. ISSN 0126-6039


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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 9 bearing 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).

Item Type:Article
Keywords:Acetylcholinesterase; Butyrylcholinesterase; Eugenol derivatives; Molecular docking
Journal:Sains Malaysiana
ID Code:17176
Deposited By: ms aida -
Deposited On:22 Jul 2021 03:00
Last Modified:26 Jul 2021 02:52

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