Hopeahainol A: an acetylcholinesterase inhibitor from Hopea hainanensis.
A phytochemical study of Hopea hainanensis has led to the isolation of three new polyphenols and one known compound. The most important of these compounds are hopeahainols A (2) and B (3), which contain an unprecedented carbon skeleton. The structures were elucidated by analysis of the spectroscopic data including single-crystal X-ray spectroscopy and computational methods. Hopeahainol A was an acetylcholinesterase inhibitor with an IC50 value of 4.33 microM, which is comparable to that of huperzine A, a presently prescribed drug for the treatment of Alzheimer, while other similar structures were inactive. This observation was complemented by a 3D interaction model of the inhibitor with active sites.
Ge
Hui Ming
HM
Institute of Functional Biomolecules, State Key Laboratory of Pharmaceutical Biotechnology, School of Medicine, Nanjing University, Nanjing, 210093, PR China.
Zhu
Chun Hua
CH
Shi
Da Hua
da H
Zhang
Li Dong
LD
Xie
Dai Qian
DQ
Yang
Jie
J
Ng
Seik Weng
SW
Tan
Ren Xiang
RX
D000110:Acetylcholinesterase / Q000378:metabolism*; D002800:Cholinesterase Inhibitors / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology*; D018360:Crystallography, X-Ray; D053958:Dipterocarpaceae / Q000737:chemistry*; D006576:Heterocyclic Compounds, 4 or More Rings / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology*; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D015394:Molecular Structure
D002800:Cholinesterase Inhibitors; D006576:Heterocyclic Compounds, 4 or More Rings; C526863:hopeahainol A; D000110:Acetylcholinesterase