Literature

Abstract

We have derived a comprehensive structure-activity relationship (SAR) picture for a new series of natural acetylcholinesterase inhibitors isolated from Sarcococca saligna. A set of 32 previously isolated and tested pregnane-type steroidal alkaloids inhibitors were investigated with respect to their IC(50) values (pIC(50)) against the AChE enzyme in order to derive CoMFA models using atom-based alignment. A highly significant CoMFA model was obtained with r(2) value of 0.974. The q(2) (cross validation r(2)) value also confirms the statistical significance of our model.

DOI： 10.1016/j.bmcl.2003.09.034

3D-QSAR Studies on natural acetylcholinesterase inhibitors of Sarcococca saligna by comparative molecular field analysis (CoMFA)

Bioorganic & Medicinal Chemistry Letters 2003.0

3D-QSAR Studies on natural acetylcholinesterase inhibitors of Sarcococca saligna by comparative molecular field analysis (CoMFA)

Bioorganic & Medicinal Chemistry Letters 2003.0

Structure-Based Alignment and Comparative Molecular Field Analysis of Acetylcholinesterase Inhibitors

Journal of Medicinal Chemistry 1996.0

SAR of 9-Amino-1,2,3,4-tetrahydroacridine-Based Acetylcholinesterase Inhibitors: Synthesis, Enzyme Inhibitory Activity, QSAR, and Structure-Based CoMFA of Tacrine Analogues

Journal of Medicinal Chemistry 2000.0

A Comparative Molecular Field Analysis Study of N-Benzylpiperidines as Acetylcholinesterase Inhibitors

Journal of Medicinal Chemistry 1996.0

3D-QSAR study of benzene sulfonamide analogs as carbonic anhydrase II inhibitors