QUANTUM-CHEMICAL STUDIES ON ACETYLTHIOCHO LINE HYDROLYSIS CATALYZED BY ACETYLCHOLINESTERASE

Authors
WANG QM JIANG HL CHEN KX GU JD TANG Y CHEN JZ JI RY
Citation
Qm. Wang et al., QUANTUM-CHEMICAL STUDIES ON ACETYLTHIOCHO LINE HYDROLYSIS CATALYZED BY ACETYLCHOLINESTERASE, Gaodeng xuexiao huaxue xuebao, 19(2), 1998, pp. 280-283
Citations number
7
Categorie Soggetti
Chemistry
Journal title
Gaodeng xuexiao huaxue xuebao → ACNP
ISSN journal
02510790
Volume
19
Issue
2
Year of publication
1998
Pages
280 - 283
Database
ISI
SICI code
0251-0790(1998)19:2<280:QSOALH>2.0.ZU;2-D
Abstract
Quantum chemical and molecular mechanical methods were employed to stu dy the acylation in the acetylthiocholine hydrolysis catalyzed by acet ylcholinesterase. The molecular and electronic structures of the react ants, transition states(TS), products and intermediates were calculate d. The results show that the concerted mechanism of protonation and nu cleophilic attack proceeding simultaneously in the course of acylation is reasonable.