[关键词]
[摘要]
目的 通过中医传承辅助系统进行溃疡性结肠炎方剂经典名方和新方数据挖掘,运用整合药理学平台分析组方潜在作用分子靶点和信号通路。方法 收集《中医方剂大辞典》治疗溃疡性结肠炎的组方,采用关联规则、复杂系统熵聚类等方法,确定各药物使用频次及关联规则,挖掘经典名方新方。应用整合平台靶标预测、网络构建等功能,获得经典名方和新方的成分-靶标网络、组方-溃疡性结肠炎相关靶标网络,通过功能分析和通路分析比较了经典名方与新方作用的溃疡性结肠炎相关靶标分子机制。结果 对筛选出的257个处方进行分析,确定处方药物使用频次,药物之间关联规则,挖掘6个核心组合和3首新方,并进一步对比了经典名方和新方之间的可能分子机制差异。结论 联用中医传承辅助系统以及整合药理学平台,可以从宏观和微观角度对溃疡性结肠炎的中药治疗挖掘经典名方和新方并研究潜在分子机制,为研究经典名方和衍生品提供了方向指导。
[Key word]
[Abstract]
Objective Based on traditional Chinese medicine (TCM) inheritance system and integrated pharmacology platform for data mining of ulcerative colitis prescription, The difference of molecular mechanism between high-frequency herb combination and potential new prescriptions were screened to explore the potential molecular targets and signal pathways. Methods The prescriptions of ulcerative colitis were collected from "Chinese medicine prescription dictionary". Association rules and complex system entropy clustering were used to determine the frequency of usage and association rules of each drug, and identify high-frequency herb combinations and new potential prescriptions. By using integration platform, network construction and target prediction, the disease-target network, herb-target network, GO and KEGG pathway of ulcerative colitis related preparations of high frequency as well as potential new pairs were analyzed. The potential molecular mechanism of ulcerative colitis related targets was compared in high-frequency and new prescriptions by analysis of functions and pathways. Results From 257 prescriptions, the frequency of usage and the association rules of prescription herb were analyzed. A total of six core combinations and three new potential prescriptions were identified, and the disease-target relationship obtained, and molecular mechanism differences between the high-frequency herb combination and the new potential prescription were compared. Conclusion Combination of TCM inheritance system and integrated pharmacology platform can help to explore the TCM formula and potential molecular mechanism of ulcerative colitis treatment from a macro and micro perspective, and provide the guidance for the further research of classic prescription and its derivatives.
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[基金项目]
国家自然科学基金资助项目(81503127);天津卫计委科研基金项目(2014KZ058);天津市“131”创新型人才培养工程项目;天津市自然科学基金青年项目(17JCQNJC13000);天津市自然科学基金一般项目(15JCYBJC29500);天津市科技支撑计划项目(15ZCZDSY00470);天津市人民医院院级课题(2016YJ029)