Flavones and flavanones as achetylcholinesterase inhibitors: the structure-activity relationship and molecular docking studies

Huynh Thi Kim Chi; Hoang-Phuc Nguyen; Hoàng Thị Kim Dung

doi:10.15625/2525-2518/59/4/15487

Author affiliations

Authors

Huynh Thi Kim Chi Institute of Chemical Technology – VAST, 1 Mac Dinh Chi Str., Dist.1, Hochiminh city, VietnamGraduate University of Science and Technology – VAST, 18 Hoang Quoc Viet Str., Cau Giay Dist., Hanoi, Vietnam
Hoang-Phuc Nguyen Institute of Chemical Technology – VAST, 1 Mac Dinh Chi Str., Dist.1, Hochiminh city, Vietnam Ton Duc Thang University, 19 Nguyen Huu Tho, Dist. 7, Hochiminh city, Vietnam
Hoàng Thị Kim Dung Institute of Chemical Technology – VAST, 1 Mac Dinh Chi Str., Dist.1, Hochiminh city, Vietnam Graduate University of Science and Technology – VAST, 18 Hoang Quoc Viet Str., Cau Giay Dist., Hanoi, Vietnam https://orcid.org/0000-0002-9369-8051

DOI:

https://doi.org/10.15625/2525-2518/59/4/15487

Keywords:

flavones, flavanones, achetylcholinesterase, structure-activity relationship, molecular docking

Abstract

Discovering and developing drugs to treat Alzheimer's disease (AD) have been a crucial target for many decades. According to a large number of later studies, acetylcholinesterase (AChE) plays an important role in AD treatment. On the other hand, flavonoids are natural compounds that possessed a wide variety of bioactivities, including the inhibitory activity on AChE. In this study, we reported the structure and activity relationship of flavone and flavanone derivatives that semi-synthesized and synthesized from flower buds of Styphnolobium japonicum (Leguminosae) and citrus peels against AChE. The results showed that the introducing of the new functional groups that leads to increasing 3-folds better AChE inhibition of compound Q2 and Q4 than that of the original. The molecular docking study was investigated in order to illuminate the experimental results and find their binding modes.

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