Journal
SCIENTIFIC REPORTS
Volume 6, Issue -, Pages -Publisher
NATURE PUBLISHING GROUP
DOI: 10.1038/srep36927
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Funding
- National Natural Science Foundation of China [21432010, 21372228, 81573323, 31200265, 31560106]
- Natural Science Foundation of Yunnan Province [2014A050]
- Technological Leading Talent Project of Yunnan Province [2015HA020]
- Central Asian Drug Discovery and Development Center of the Chinese Academy of Sciences [CAM201402, CAM201302]
- Xibuzhiguang Project
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Two new 16-nor limonoids, harperspinoids A and B (1 and 2), with a unique 7/5/5/6/5 ring system, have been isolated from the plant Harrisonia perforate together with a known one, Harperforin G (3). Their structures were elucidated by NMR spectroscopy, X-ray diffraction analysis and computational modelling. Compound 1 exists as polymorphic crystals. Conformations of 1 in solution were further discussed based on the computational results. These compounds exhibited notable inhibitory activity against the 11 beta-HSD1 enzyme. Compound 3 had potencies for the inhibition of human 11 beta-HSD1 with high selectivity against 11 beta-HSD2 (IC50 0.58 mu M, SI > 174). Molecular docking and quantitative structure-activity relationship studies revealed a mixed regulatory mechanism.
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