| 彝药金不换金钱吊乌龟类生物碱及小檗胺生物碱活性构象研究 |
| |
| 引用本文： | 何驰宇,张严,郑洋,黄妮慧,杨光洁. 彝药金不换金钱吊乌龟类生物碱及小檗胺生物碱活性构象研究[J]. 中央民族大学学报(自然科学版), 2011, 0(4) |
| |
| 作者姓名： | 何驰宇 张严 郑洋 黄妮慧 杨光洁 |
| |
| 作者单位： | 中央民族大学生命与环境科学学院,北京,100081 |
| |
| 基金项目： | 国家自然科学基金项目(No.81073032)金不换抗药物依赖有效成分的药效团模型研究 |
| |
| 摘 要： | 本文选择金不换中具有镇痛镇静功效的金钱吊乌龟类生物碱及小檗胺生物碱有效成分作为研究对象，应用量子化学计算方法和计算机辅助药物设计方法，从微观角度确定此类生物碱有效成分的低能构象和活性构象．研究结果显示：应用量子化学计算方法，得到了各生物碱有效成分的相应全局低能构象；采用计算机辅助药物设计方法中的半柔性分子对接方法，获得其对接时的活性构象．
|
| 关 键 词： | 金不换 稽延性戒断症 计算机辅助药物设计 低能构象 活性构象 |
Active Geometry Studies on S.cepharantha and Berbamine alkaloid of the Stephania delavayi Diels Drug |
| |
| HE Chi-yu,ZHANG Yan,ZHEN Yang,HUANG Kun-hui,YANG Guang-jie. Active Geometry Studies on S.cepharantha and Berbamine alkaloid of the Stephania delavayi Diels Drug[J]. Journal of The Central University for Nationalities(Natural Sciences Edition), 2011, 0(4) |
| |
| Authors: | HE Chi-yu ZHANG Yan ZHEN Yang HUANG Kun-hui YANG Guang-jie |
| |
| Affiliation: | HE Chi-yu,ZHANG Yan,ZHEN Yang,HUANG Kun-hui,YANG Guang-jie(College of Life and Environmental Sciences,Minzu University of China,Beijing 100081,China) |
| |
| Abstract: | The analgesic sedation effect of the Stephania delavayi Diels drug in the treatment of protracted withdrawal symptoms would have a negligible importance.We choose S.cepharantha and Berbamine alkaloid with analgesic sedation effect of active ingredients to be researching object.The low-energy geometry and the active geometry are studied from the microscopic view with the method of computational quantum chemistry and computer-aided drug design.The results showed that global low-energy geometry of the alkaloid... |
| |
| Keywords: | stephania delavayi diels protracted withdrawal syndrome computer-aided drug design low-energy geometry active geometry |
| 本文献已被 CNKI 万方数据 等数据库收录！ |
