In vivo evaluation and atom-based 3D-QSAR studies on saponins from shells of Xanthoceras sorbifolium Bunge as anti-AD agents.

Abstract

A series of oleanane type of glycosides (1-19), including nine undescribed ones (1-9), were isolated and identified from Xanthoceras sorbifolium. Subsequently, an atom-based 3D-QSAR model was constructed based on results of the in vivo anti-AD evaluation of the isolates (2-3, 10-17) and nine literature-reported anti-AD oleanane type of glycosides to clarify the structure-anti-AD activity, and under the guidance of which 19 was predicted and proved to elicit a nearly equivalent in vivo anti-AD effect as xanthoceraside and donepezil that were used as positive drugs in the Y maze and Morris water maze test.