基于数智融合的中西药并用代谢性药物肝损伤预警方法的构建  

Construction of early warning methods of metabolic drug-induced liver injury with traditional Chinese medicine and Western medicine combination based on digital-intelligence fusion

作　　者：陈昭 郑蕊 邱瑞瑾[2] 赵晨 王燕平[1] 商洪才[2] CHEN Zhao;ZHENG Rui;QIU Rui-jin;ZHAO Chen;WANG Yan-ping;SHANG Hong-cai(Institute of Basic Research in Clinical Medicine,China Academy of Chinese Medical Sciences,Beijing 100700,China;Key Laboratory of Chinese Internal Medicine of Ministry of Education and Beijing,Dongzhimen Hospital,Beijing University of Chinese Medicine,Beijing 100700,China)

机构地区：[1]中国中医科学院中医临床基础医学研究所,北京100700 [2]北京中医药大学东直门医院,中医内科学教育部和北京市重点实验室,北京100700

出　　处：《中华中医药杂志》2023年第4期1413-1417,共5页China Journal of Traditional Chinese Medicine and Pharmacy

基　　金：国家自然科学基金青年科学基金项目(N o.82104694);中国博士后科学基金面上项目(No.2020M670236);中国博士后科学基金特别资助(站中)(No.2021T140075)。

摘　　要：目前,中西药并用尚缺乏有效安全性评价方法和体系,与其相关的代谢性药物肝损伤受到普遍关注。针对这一问题,本研究拟构建基于数智融合的中西药并用代谢性药物肝损伤预警方法。该方法以中西药并用多元证据和复杂的药物代谢相互作用为数据驱动,结合数智融合的方法构建中西药并用代谢性药物肝损伤预测模型(包括CYP450酶生物活性判别模型、酶促反应预测模型和肝损伤预测模型)预测二者联用代谢性药物肝损伤的原型成分/代谢成分和机制,从多层面实验(细胞、斑马鱼、大鼠)“各司其职”地验证并优化中西药并用代谢性药物肝损伤预测模型。该方法为中西药并用代谢性药物肝损伤提供早期预警。At present,there is sill a lack of effective safety evaluation methods and systems for traditional Chinese medicine and Western medicine combination(TCM-WMC),and the related metabolic drug-induced liver injury(DILI)has attracted widespread attention.In order to address this issue,this study intends to build a liver injury early warning method of metabolic DILI for TCM-WMC based on digital-intelligence fusion for traditional Chinese medicine.The method is data-driven by multiple evidence of TCM-WMC and complex drug metabolism interactions,combined with the method of digital-intelligence fusion for traditional Chinese medicine,the prediction model of metabolic DILI caused by TCM-WMC(including the CYP450 enzyme biological activity discrimination model,the enzymatic reaction prediction model and the liver injury prediction model)is constructed.This model is to predict the prototype compounds/metabolic compounds and mechanism of metabolic DILI for TCM-WMC.From multi-level experiments(cells,zebrafish,rats)to'perform their own duties'to validate and optimize the prediction model of metabolic DILI for TCM-WMC.This method provides early warning for metabolic DILI caused by TCM-WMC.

关 键 词：中西药并用 人工智能 数智融合 药物相互作用 药物代谢 安全性评价 肝损伤 预测模型 

分 类 号：R575[医药卫生—消化系统]