Model informed precision medicine of Chinese herbal medicines formulas-A multi-scale mechanistic intelligent model  

作　　者：Yuanyuan Qian Xiting Wang Lulu Cai Jiangxue Han Zhu Huang Yahui Lou Bingyue Zhang Yanjie Wang Xiaoning Sun Yan Zhang Aisong Zhu 

机构地区：[1]Zhejiang Key Laboratory of Blood-Stasis-Toxin Syndrome,Zhejiang Chinese Medical University,Hangzhou,310000,China [2]Academy of Mathematics and Systems Science,Chinese Academy of Sciences,Beijing,100190,China [3]Zhejiang Engineering Research Center for“Preventive Treatment”Smart Health of Traditional Chinese Medicine,Zhejiang Chinese Medical University,Hangzhou,310000,China [4]College of Basic Medical Sciences,Zhejiang Chinese Medical University,Hangzhou,310000,China [5]Affiliated Hospital of Liaoning University of Traditional Chinese Medicine,Shenyang,110032,China [6]Academy of Chinese Medical Science,Zhejiang Chinese Medical University,Hangzhou,310000,China

出　　处：《Journal of Pharmaceutical Analysis》2024年第4期585-600,共16页药物分析学报（英文版）

基　　金：supported by the National Natural Science Foundation of China(Grant No.:82174246);the National Key R&D Program of China(Grant No.:2019YFC1708701);the Postdoctoral Innovation Talent Support Program(Grant No.:BX20220329).

摘　　要：Recent trends suggest that Chinese herbal medicine formulas(CHM formulas)are promising treatments for complex diseases.To characterize the precise syndromes,precise diseases and precise targets of the precise targets between complex diseases and CHM formulas,we developed an artificial intelligence-based quantitative predictive algorithm(DeepTCM).DeepTCM has gone through multilevel model calibration and validation against a comprehensive set of herb and disease data so that it accurately captures the complex cellular signaling,molecular and theoretical levels of traditional Chinese medicine(TCM).As an example,our model simulated the optimal CHM formulas for the treatment of coronary heart disease(CHD)with depression,and through model sensitivity analysis,we calculated the balanced scoring of the formulas.Furthermore,we constructed a biological knowledge graph representing interactions by associating herb-target and gene-disease interactions.Finally,we experimentally confirmed the therapeutic effect and pharmacological mechanism of a novel model-predicted intervention in humans and mice.This novel multiscale model opened up a new avenue to combine“disease syndrome”and“macro micro”system modeling to facilitate translational research in CHM formulas.

关 键 词：Chinese herbal medicine formulas Precision medicine Mathematical modeling Systems biology Coronary heart disease Depression ISCHEMIA-REPERFUSION Inflammation 

分 类 号：R284[医药卫生—中药学]