title: Design, synthesis and evaluation of flavonoid derivatives as potent AChE inhibitors.
abstract: A new series of flavonoid derivatives have been designed, synthesized and evaluated as potent AChE inhibitors. Most of them showed more potent inhibitory activities to AChE than rivastigmine. The most potent inhibitor isoflavone derivative 10d inhibit AChE with a IC(50) of 4 nM and showed high BChE/AChE inhibition ratio (4575-fold), superior to donepezil (IC(50)=12 nM, 389-fold). Molecular docking studies were also performed to explore the detailed interaction with AChE.
authors.affiliation: ZJU-ENS Joint Laboratory of Medicinal Chemistry, School of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, PR China.
authors.forename: Rong
authors.initials: R
authors.lastname: Sheng
authors.forename: Xiao
authors.initials: X
authors.lastname: Lin
authors.forename: Jing
authors.initials: J
authors.lastname: Zhang
authors.forename: Kim Sun
authors.initials: KS
authors.lastname: Chol
authors.forename: Wenhai
authors.initials: W
authors.lastname: Huang
authors.forename: Bo
authors.initials: B
authors.lastname: Yang
authors.forename: Qiaojun
authors.initials: Q
authors.lastname: He
authors.forename: Yongzhou
authors.initials: Y
authors.lastname: Hu
mesh_terms: D000110:Acetylcholinesterase / Q000737:chemistry / Q000378:metabolism*; D000818:Animals; D001665:Binding Sites; D002091:Butyrylcholinesterase / Q000737:chemistry / Q000378:metabolism; D002800:Cholinesterase Inhibitors / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D003198:Computer Simulation; D005419:Flavonoids / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D020128:Inhibitory Concentration 50; D008958:Models, Molecular; D015394:Molecular Structure; D048448:Phenylcarbamates / Q000494:pharmacology; D011485:Protein Binding; D051381:Rats; D000068836:Rivastigmine; D013329:Structure-Activity Relationship
chemical_list: D002800:Cholinesterase Inhibitors; D005419:Flavonoids; D048448:Phenylcarbamates; D000110:Acetylcholinesterase; D002091:Butyrylcholinesterase; D000068836:Rivastigmine