theoretical modeling for baogongteng a and its derivatives as muscarinic agonists using stepwise regression approach

theoretical modeling for baogongteng a and its derivatives as muscarinic agonists using stepwise regression approach

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.

to explore further the sar in this series and to ultimately design muscarinic agonists for drug development, a multivariate linear ragration (mlr) was performed. the correlation coefficient in the prediction of pec50 for training, and test sets, are; 0.8206 and 0.9172 by mlr model.