科研之友
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摘要
The interproton distances in the molecule of 17a beta-acetoxy-16,16-dimethyl-3-methoxy-D-homo-B-nor-9 beta-estra-1,3,5(10)-triene, determined from the X-ray diffraction data and by (1)H NMR spectroscopy, were consistent with those calculated ab initio and by the PM3 and MM+ methods. Therefore, MM+ calculations were used to perform docking of a series of D-homo-B-nor-9 beta-estra-1,3,5(10)-trienes to hormone-binding pocket of estrogen a-receptors, and 16,16-dimethyl-D-homo-B-nor-9-estrone was selected for studying its biological properties. This compound was found to possess cardioprotective activity and no uterotropic effect.
- 出版日期2011-6
