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Updated: Aug 16, 2026

Quantifying Agonist Activity at G Protein-coupled Receptors
Published on: December 26, 2011
Activity and QSAR study of baogongteng A and its derivatives as muscarinic agonists
Yin-Yao Niu1, Li-Min Yang, Hui-Zhong Liu
1Institute of Materia Medica, Shanghai Second Medical University, Shanghai 200025, China.
Abstract:
Baogongteng A (BGT-A), a naturally occurring tropane muscarinic agonist isolated from Chinese medicinal plant, exhibits a bioactive effect different from those of many tropane alkaloids that are muscarinic antagonists. A series of racemic derivatives of BGT-A was synthesized to study the structure-activity relationships (SAR). To explore further the SAR in this series and to ultimately design muscarinic agonists for drug development, a Comparative Molecular Field Analysis (CoMFA) was performed. The values of the leave-one-out cross-validated correlation coefficient q2 and the conventional correlation coefficient r2 for the model are 0.613 and 0.965, respectively. The regression analysis of the data indicated that the steric effect of N-substituted group on tropane of analyzed compounds critically affected the agonistic activity to muscarinic receptors.
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