目的 基于蛋白质组学和LINCS数据库探讨预测中药复方不良反应的方法。方法 以黄连解毒汤为例，对黄连解毒汤干预脑缺血大鼠模型进行蛋白质组学分析，运用LINCS数据库、Python、RStudio等筛选与黄连解毒汤成分化合物结构相似和基因表达类似的临床药物，检索药物的不良反应，预测黄连解毒汤可能的不良反应。结果 黄连解毒汤干预脑缺血模型蛋白质组学共筛选出72个上调蛋白和91个下调蛋白。阿司匹林、曲克芦丁等11个临床药物与黄连解毒汤成分的化学结构相似，表现出皮疹、恶心、呕吐、腹泻等不良反应；地昔帕明、山柰酚等30个临床药物与黄连解毒汤基因表达谱类似，表现出恶心、头晕、头痛等不良反应。根据上述结果，预测黄连解毒汤可能的不良反应为腹泻、恶心、头晕、头痛、呕吐等。结论 以黄连解毒汤为例，探讨了一种预测中药复方不良反应的新方法，为临床研究提供参考。

Objective To explore a method to predict the adverse reactions of traditional Chinese medicine (TCM) compound based on proteomics and LINCS database. Methods Taking Huanglian Jiedu Decoction (黄连解毒汤) as an example, proteomics analysis was conducted on Huanglian Jiedu Decoction intervened cerebral ischemia rat model. LINCS database, Python and RStudio were used to screen clinical drugs with similar structure and gene expression to Huanglian Jiedu Decoction. Adverse reactions of drugs were retrieved and possible adverse reactions of Huanglian Jiedu Decoction were predicted. Results A total of 72 up-regulated proteins and 91 down-regulated proteins were screened via proteomics. The chemical structure of 11 clinical drugs, such as aspirin and troxrutin, were similar to that of Huanglian Jiudu Decoction, which showed rash, nausea, vomiting and diarrhea and other adverse reactions. The gene expression profiles of 30 clinical drugs, such as dixipramine and kaempferol, were similar to those of Huanglian Jiedu Decoction, which showed nausea, dizziness, headache and other adverse reactions. According to the above results, the possible adverse reactions of Huanglian Jiedu Decoction were predicted to be diarrhea, nausea, dizziness, headache, vomiting, etc. Conclusion This study explores a new method to predict the adverse reactions of TCM compound, and takes Huanglian Jiedu Decoction as an example to illustrate the feasibility of the method and provide reference for clinical research.

R285

北京中医药大学基本科研业务费项目(重点攻关项目)(2020-JYB-ZDGG-039)