基于数据挖掘和生物信息学探究糖尿病治疗的用药规律及药理机制研究

Analysis of Medication Rules and Pharmacological Mechanisms of Diabetes MellitusTreatment Based on Data Mining and Bioinformatics

目的 基于多算法挖掘治疗糖尿病的用药规律,并且基于生物信息学探究关键组方治疗糖尿病的药效药理机制,为糖尿病的辨证防治提供指导。方法 基于古今医案云平台V2.3.5通过数据挖掘分析方法研究糖尿病治疗的组方用药规律,同时基于关联规则、聚类分析等算法获得新关键组方,另外基于生物信息学分析关键组方治疗糖尿病的“多成分-多靶点-多通路”的药效药理机制。结果 通过古今医案云平台V2.3.5共筛选出68首中药处方、214味中药及4首新组方,基于网络药理学分析发现黄芪、甘草、五味子、丹参及当归新组方治疗糖尿病基于193种生物活性化合物、30种关键靶点、4151种GO过程以及74条KEGG生物通路,并且基于分子对接发现glycyroside、sitosterol等关键活性成分。结论 本研究初步阐明了糖尿病治疗的方剂用药规律,并基于生物信息学初步揭示了复方用药的药效药理机制,为糖尿病的中医药临床辨证治疗提供数据算法支持以及生物信息学基础。

Objective To explore the pharmacological mechanism of essential formulas for the treatment of diabetes,and to guide the prevention and treatment of diabetes, based on multi-algorithm mining the medication rule of treating diabetes and based on bioinformatics.Methods The ancient and modern medical case cloud platform V2.3.5 was used for data mining about the prescription and medication rules of diabetes treatment, and it studied the new essential prescriptions based on algorithms such as association rules and cluster analysis. In addition, bioinformatics was used to analyze the pharmacological mechanism of the critical prescription in the treatment of diabetes.Results A total of 47prescriptions were screened in the ancient and modern medical case cloud platform V2.3.5, 68 Chinese medicine prescriptions, 214 Chinese medicines and four new formulas were screened Based on network pharmacological analysis,it was found that the new prescriptions for the treatment of diabetes were based on 193 biologically active compounds, 30 key targets, 4151 GO processes and 74 KEGG biological pathways, glycyroside, sitosterol and other vital active ingredients were discovered based on molecular docking. Conclusion This study preliminarily clarifies the rules of prescriptions and medications for diabetes treatment and reveal the pharmacological mechanism of compound medications based on bioinformatics, and it provides data algorithm support and bioinformatics basis for the clinical dialectical treatment of diabetes in traditional Chinese medicine.