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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9.47,与黄酮苷类(9.17±2.11)和萜类(9.30±3.62)化合物比较接近。因此,初步推断肝经的模板分子与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。
In this paper, we mainly discuss the characteristics of the TCM ingredient “Imprinting Template” of the liver meridian from the similarity of molecular connectivity index, and find the scientific basis for the function of TCM. Based on the textbook “Traditional Chinese Pharmacology” and “Traditional Chinese Medicine”, which is a national higher education “Twelfth Five-Year Plan” textbook, this paper summarizes the TCMSP sub-libraries in TCM Pharmacology Database of Northwest A & F University by consulting literatures and searching And summarize the information of components contained in the Chinese medicine of the single liver, calculate the molecular connectivity index of each component and calculate the average molecular connectivity index of the traditional Chinese medicine components of the liver, compare with the single component molecular connectivity index, lock the liver Template molecular category. The average molecular connectivity index of Chinese herbal medicine by calculating the single liver component was 9.47, which was close to the compounds of flavone glycosides (9.17 ± 2.11) and terpenoids (9.30 ± 3.62). Therefore, it is preliminarily concluded that the template molecules of liver meridian are similar to the physicochemical properties of flavonoid glycosides and terpenoids, thus suggesting the hypothesis that flavonoid glycosides and terpenoids can best match the “imprinting template” of liver.