Model Informed Precision Medicine of Chinese Herbal Medicines Formulas-A Multi-scale Mechanistic Intelligent Model

Overview

Journal J Pharm Anal

Specialty Chemistry

Date 2024 May 2

PMID 38694562

Authors

Yuanyuan Qian

XiTing Wang

Lulu Cai

Jiangxue Han

Zhu Huang

Yahui Lou

Bingyue Zhang

Yanjie Wang

Xiaoning Sun

Yan Zhang

Aisong Zhu

Affiliations

Soon will be listed here.

Abstract

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.

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