Abstract:Chirality is a common phenomenon, and it is meaningful to explore interactions between stereoselective bio-macromolecules and chiral small molecules with preclinical and clinical significance. Protopanaxadiol-type ginsenosides are main effective ingredients in ginseng and are prone to biotransformation into a pair of ocotillol C20-24 epoxide epimers, namely, (20S,24S)-epoxy-dammarane-3,12,25-triol (24S-PDQ) and (20S,24R)-epoxy dammarane-3,12,25-triol (24R-PDQ) that display stereoselective fate in vivo. However… Show more
“…Theoretically, the understanding of molecular mechanisms involved in ligand-protein interactions is crucial for drug design. Guo et al investigated the chirality of C20-24 epimeric epoxides that transformed from protopanaxadiol-type ginsenosides [12]. Through the analysis of molecular docking, the authors confirmed consistency in some previous cell/animal-based experimental findings and gain insights into the stereo-selectivity of ginsenosides.…”
“…Theoretically, the understanding of molecular mechanisms involved in ligand-protein interactions is crucial for drug design. Guo et al investigated the chirality of C20-24 epimeric epoxides that transformed from protopanaxadiol-type ginsenosides [12]. Through the analysis of molecular docking, the authors confirmed consistency in some previous cell/animal-based experimental findings and gain insights into the stereo-selectivity of ginsenosides.…”
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