title: An aporphine alkaloid from Nelumbo nucifera as an acetylcholinesterase inhibitor and the primary investigation for structure-activity correlations.
abstract: N-methylasimilobine (1), a new-found strong acetylcholinesterase (AChE) inhibitor, along with two weakly active aporphine alkaloids, nuciferine (2) and nornuciferine (3) were separated from Nelumbo nucifera. N-methylasimilobine (1) inhibited 50% of AChE activity at the concentrations of 1.5 ± 0.2 µg mL(-1) when the standard IC(50) value of Physostigmine was 0.013 ± 0.002 µg mL(-1). The mode of AChE inhibition by 1 was reversible and non-competitive. In addition, molecular modelling was performed to explore the binding mode of inhibitor 1 at the active site of AChE.
authors: School of Life Science and Engineering, Lanzhou University of Technology, Lanzhou, P.R. China.
authors: Zhong-duo
authors: ZD
authors: Yang
authors: Xu
authors: X
authors: Zhang
authors: Juan
authors: J
authors: Du
authors: Zhao-jian
authors: ZJ
authors: Ma
authors: Feng
authors: F
authors: Guo
authors: Shuo
authors: S
authors: Li
authors: Xiao-jun
authors: XJ
authors: Yao
mesh_terms: D000110:Acetylcholinesterase / Q000378:metabolism*; D001060:Aporphines / Q000737:chemistry* / Q000494:pharmacology*; D002800:Cholinesterase Inhibitors / Q000737:chemistry / Q000494:pharmacology*; D004789:Enzyme Activation / Q000187:drug effects; D015394:Molecular Structure; D031653:Nelumbo / Q000737:chemistry*; D013329:Structure-Activity Relationship
chemical_list: D001060:Aporphines; D002800:Cholinesterase Inhibitors; C081279:aporphine; D000110:Acetylcholinesterase