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dc.contributor.authorYidan Baien_US
dc.contributor.authorWanfang Zhuen_US
dc.contributor.authorYunhui Xuen_US
dc.contributor.authorZijian Xieen_US
dc.contributor.authorToshihiro Akihisaen_US
dc.contributor.authorJiradej Manosroien_US
dc.contributor.authorHaopeng Sunen_US
dc.contributor.authorFeng Fengen_US
dc.contributor.authorWenyuan Liuen_US
dc.contributor.authorJie Zhangen_US
dc.description.abstract© 2019 Elsevier Inc. Streblus asper Lour. (Moraceae) is a medicinal plant in Asian countries including India and Thailand, possessing activities of anti-tumor, anti-allergy, anti-parasitic and anti-bacterial. In this paper, characterization, quantitation and similarity evaluation of cardiac glycosides in different parts of S. asper were investigated by HPLC-Q-TOF-MS and chemometric methods. Then, the inhibition of Na + ,K + -ATPase activity by the compounds isolated from S. asper was measured. Meanwhile, enzyme kinetics and molecular docking were determined to exhibit the combination modes between cardiac glycosides and Na + ,K + -ATPase. As a result, twenty peaks of cardiac glycosides were assigned. Strophanthidin-3-O-α-L-rhamnopyranosyl-(1 → 4)-6-deoxy-β-D-allopyranoside (1), glucostrebloside (2), strebloside (4) and mansonin (8) with a significant activity of inhibiting Na + ,K + -ATPase (IC 50 7.55–13.60 μM) were chosen for the determination of enzyme kinetics, exhibiting anticompetitive inhibitory characteristics towards Na + ,K + -ATPase. Compound 4 could reasonably bind to the active sites of Na + ,K + -ATPase, proved by molecular docking. Furthermore, the contents of the major compounds in four different parts of S. asper were extremely different, analyzed by chemometric methods, similarity analysis and principle compounds analysis. All these findings indicated that the contents of major compounds in different parts of S. asper were extremely different with a significant activity of inhibiting Na + ,K + -ATPase, providing a reference for determination of effective part and administered dosage. The combination modes between cardiac glycosides and Na + ,K + -ATPase were also revealed by enzyme kinetics and molecular docking, which provided a basis for further study of pharmacological activity.en_US
dc.subjectBiochemistry, Genetics and Molecular Biologyen_US
dc.subjectPharmacology, Toxicology and Pharmaceuticsen_US
dc.titleCharacterization, quantitation, similarity evaluation and combination with Na <sup>+</sup> ,K <sup>+</sup> -ATPase of cardiac glycosides from Streblus asperen_US
article.title.sourcetitleBioorganic Chemistryen_US
article.volume87en_US University of Scienceen_US Pharmaceutical Universityen_US Universityen_US Mai Universityen_US
Appears in Collections:CMUL: Journal Articles

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