基于分子连接性指数探归肝经中药成分印迹模板特征.docVIP

基于分子连接性指数探归肝经中药成分印迹模板特征 　　[摘要]该文主要从分子连接性指数相似性角度探讨归肝经中药成分“印迹模板”的特征，为中药归经作用寻找科学依据。该文以普通高等教育“十二五”国家级规划教材《中药学》和《中药化学》为蓝本，通过查阅文献和检索西北农林科技大学中药系统药理学数据库中的TCMSP子库，归纳并总结单归肝经中药所含成分信息，对各成分的分子连接性指数进行计算，并求算出归肝经中药成分的平均分子连接性指数，与单成分分子连接性指数对比，锁定肝经模板分子类别。通过计算单归肝经中药成分平均分子连接性指数为947，与黄酮苷类（917±211）和萜类（930±362）化合物比较接近。因此，初步推断肝经的模板分子?c黄酮苷类和萜类理化性质相近，从而提出黄酮苷类和萜类成分最能与肝经的“印迹模板”较好匹配的假说。 　　[关键词]超分子印迹模板； 肝经； 分子连接性指数； 中药成分 　　Characteristics of supramolecular imprinting template on liver meridian 　　tropism of traditional Chinese medicine based on molecular connectivity index 　　FAN Shiqi1， LI Sen1， LIU Jinling1， YANG Jiao1， HU Chao1， ZHU Junping1， 　　XIAO Xiaoqin1， LIU Wenlong1， 2， 3*， HE Fuyuan1， 2， 3* 　　（1School of Pharmacy， Hunan University of Traditional Chinese Medicine， Changsha 410208， China； 　　2Hunan Key Laboratory of Druggability and Preparation Modification of Traditional Chinese Medicine， Changsha 410208， China； 　　3Supramolecular Mechanism and MathematicsPhysics Characterization Laboratory for Chinese Materia Medica， Hunan University 　　of Traditional Chinese Medicine， Changsha 410208， China） 　　[Abstract]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 fiveyear plan national planning textbooks Science of Traditional Chinese Medicine and Chemistry of Traditional Chinese Medicine as the blueprint， literatures and TCMSP subdatabases 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 947， which was close to flavonoid glycosides′ （917±211） and terpenes （930±362） Therefore， it is