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细胞毒活性化合物Glaucocalyxin A的晶体结构和DFT研究
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作者 王福东 汪涛 +2 位作者 吴安安 丁兰 汪汉卿 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2009年第3期275-284,339,共11页
采用单晶x射线衍射技术对化合物的晶体结构进行了研究.研究结果表明,Glaucocalyxin A分子含3个六元环和1个五元环,其中六元环均为椅式构象,五元环为扭曲信封式构象.Glaucocalyxin A晶体结构属正交晶系.采用密度函数理论和Hartree... 采用单晶x射线衍射技术对化合物的晶体结构进行了研究.研究结果表明,Glaucocalyxin A分子含3个六元环和1个五元环,其中六元环均为椅式构象,五元环为扭曲信封式构象.Glaucocalyxin A晶体结构属正交晶系.采用密度函数理论和Hartree—Fock方法对该化合物晶体的键长、键角和两面角进行计算,并与X衍射测定值进行比较,结果表明理论值与实验值符合相当好.应用规范不变原子轨道,分别在不同水平上,计算了GlaucocalyxinA的^1 H和^13 C NMR化学位移,并对理论计算值的误差进行了统计分析,结果表明计算值与实验值的符合是令人满意的.通过对该分了的三维分子表面静电位的研究,提出了该分子抗癌活性的可能部位. 展开更多
关键词 拟缺香茶菜 glaucocalyxin a X单晶衍射结构 密度泛函理论
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Pharmacological Action and Molecular Mechanism of Glaucocalyxin B
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作者 Mingxinzhi WANG Jingchao WANG +1 位作者 Quan QUAN Chenghao JIN 《Plant Diseases and Pests》 CAS 2023年第1期37-39,共3页
Glaucocalyxin B(GLB)not only has many pharmacological actions such as anti-Parkinson's disease,preventing neuron injury,anti-neuritis and anti-rheumatoid arthritis,but also has good anti-tumor activity,especially ... Glaucocalyxin B(GLB)not only has many pharmacological actions such as anti-Parkinson's disease,preventing neuron injury,anti-neuritis and anti-rheumatoid arthritis,but also has good anti-tumor activity,especially with obvious therapeutic effect on cervical cancer,gastric cancer and breast cancer.In this paper,the pharmacological action and molecular mechanism of GLB are reviewed,in order to provide a theoretical basis for the development and clinical application of GLB. 展开更多
关键词 glaucocalyxin B anti-Parkinson's disease Preventing neuron injury anti-neuritis aNTI-TUMOR
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Two new diterpenoids from Rabdosia japonica var. glaucocalyx 被引量:3
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作者 Zhao Bao Xiang Yi Xin Xu +3 位作者 Yang Shen Li Jin Hou Peng Wang Hai Sheng Chen 《Chinese Chemical Letters》 SCIE CAS CSCD 2008年第7期852-854,共3页
Two new diterpenoids, named glaucocalyxin F and glaucocalyxin X, respectively, were isolated from the whole plant of Rabdosia japonica (Burm. f.) Hara var. glaucocalyx (Maxim.) Hara. Their structures was establish... Two new diterpenoids, named glaucocalyxin F and glaucocalyxin X, respectively, were isolated from the whole plant of Rabdosia japonica (Burm. f.) Hara var. glaucocalyx (Maxim.) Hara. Their structures was established on the basis of spectral analysis. 展开更多
关键词 Rabdosia japonica var. glaucocalyx DITERPENOID glaucocalyxin F glaucocalyxin X
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