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 IC50 values (pIC50) against the AChE enzyme in order to derive CoMFA models using atom-based alignment. A highly significant CoMFA model was obtained with r2 value of 0.974. The q2 (cross validation r2) value also confirms the statistical significance of our model. © 2003 Elsevier Ltd. All rights reserved.
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CITATION STYLE
Zaheer-ul-Haq, Wellenzohn, B., Tonmunphean, S., Khalid, A., Choudhary, M. I., & Rode, B. M. (2003). 3D-QSAR Studies on natural acetylcholinesterase inhibitors of Sarcococca saligna by comparative molecular field analysis (CoMFA). Bioorganic and Medicinal Chemistry Letters, 13(24), 4375–4380. https://doi.org/10.1016/j.bmcl.2003.09.034
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