Fan Shi-Qi, Li Sen, Liu Jin-Ling, Yang Jiao, Hu Chao, Zhu Jun-Ping, Xiao Xiao-Qin, Liu Wen-Long, He Fu-Yuan
School of Pharmacy, Hunan University of Traditional Chinese Medicine, Changsha 410208, China.
Hunan Key Laboratory of Druggability and Preparation Modification of Traditional Chinese Medicine, Changsha 410208, China.
Zhongguo Zhong Yao Za Zhi. 2017 Jan;42(2):390-395. doi: 10.19540/j.cnki.cjcmm.20161222.015.
The molecular connectivity index was adopted to explore the characteristics of supramolecular imprinting template of herbs distributed to liver meridian, in order to provide scientific basis for traditional Chinese medicines(TCMs) distributed to liver meridian. In this paper, with "12th five-year plan" national planning textbooks Science of Traditional Chinese Medicine and Chemistry of Traditional Chinese Medicine as the blueprint, literatures and TCMSP sub-databases in TCM pharmacology of northwest science and technology university of agriculture and forestry were retrieved to collect and summarize active constituents of TCM distributed to liver meridian, and calculate the molecular connectivity index. The average molecular connectivity index of ingredients distributed to liver meridian was 9.47, which was close to flavonoid glycosides' (9.17±2.11) and terpenes (9.30±3.62). Therefore, it is inferred that template molecule of liver meridian is similar to physicochemical property of flavonoid glycosides and terpenes, which could be best matched with imprinting template of liver meridian.
采用分子连接性指数探讨归肝经中药超分子印迹模板的特征，以期为归肝经中药提供科学依据。本文以“十二五”国家级规划教材《中医学》《中药化学》为蓝本，检索西北农林科技大学中药药理学文献及TCMSP子数据库，收集并汇总归肝经中药活性成分，计算分子连接性指数。归肝经成分的平均分子连接性指数为9.47，接近黄酮苷类（9.17±2.11）和萜类（9.30±3.62）。由此推测，肝经模板分子与黄酮苷类和萜类的理化性质相似，与肝经印迹模板匹配度最佳。
