基于系统药理学对山茱萸“救脱”原理的物质基础研究

目的：根据经典中医文献及现代研究探索山茱萸发挥"救脱"功能的原理,发掘潜在的治疗"脱证"等疾病的未被开发的活性化合物。方法：利用中药系统药理学数据库与分析平台（TCMSP）获取山茱萸的化学成分,并根据Lipinski规则（LR）、口服生物利用度（Oral bioavailability,OB）以及药物相似性（Drug-likeness,DL）对潜在的生物活性成分进行分析鉴定;利用BATMAN-TCM对获得的活性成分进行生物信息学分析。结果：从山茱萸中获得226种化学成分,并根据LR、OB及DL特性筛选出潜在有效成分19个。并分析这些有效成分相作用的靶点,构建h-c-t-d网络关系。结论：发现山茱萸可能是通过硬脂酸、亚麻酸、亚麻油酸等化合物,影响ALOX5AP、BDKRB2、PTGS2、SCN5A等靶点,通过提高血压,强心,镇痛的协同作用,达到救脱的目的。

Exploration on the material basis of the efficacy of “Jiu Tuo” of Cornus of ficinalis

OBJECTIVE To investigate the theory that Cornus officinalis plays the role of "Jiu Tuo" according to the classical Chinese medicine literature and modern research and to explore the potential undeveloped active compounds for the treatment of diseases such as "Tuo Zheng". METHODS The chemical composition of cornel wood was obtained from the pharmacological database and analysis platform of Chinese medicine system (TCMSP), and then the potential bioactive components are analyzed and identified according to Lipinski rule (LR), Oral bioavailability (OB), and Drug similarity (DL). BATMAN-TCM was used to analyze bioinformatics of active components. RESULTS 226 chemical constituents were obtained from Cornus officinalis, and 19 potential active constituents were selected according to LR, OB and DL characteristics.The targets of the interaction of these active components were analyzed to construct the h-c-t-d network relationship. CONCLUSION It was found that Cornus officinalis may affect ALOX5AP, BDKRB2, PTGS2, SCN5A and other targets through stearic acid, linolenic acid, linoleic acid and other compounds, and achieve the purpose of Jiu Tuo through the synergistic effect of increasing blood pressure, strengthening heart and analgesia.