中药药效物质多模态辨识方法学及其应用研究

Methodology and applications for multimodal identification of active constituents of traditional Chinese medicine

针对现有中药药效物质研究面临的缺乏多向药理效应评价方法、难以系统辨析药效物质等瓶颈问题,该文采用系统论、信息论以及协同论等科学方法论对中药药效物质研究领域的关键科学问题进行理论思考,提出从宏观、介观直至微观的跨尺度科学观察中药化学组成与生物效应相关性的系统研究策略,构建了中药药效物质多模态辨识方法学及其核心技术,构思了以多模态信息获取为手段、以多源信息融合分析为核心、以交互作用评价为重点的中药药效物质多模态研究技术体系。根据中药与机体间物质-能量-信息交换特点,发展了中药药效物质多模态辨识核心技术,并简要论述了2个应用研究示例,为破解中药药效物质研究的瓶颈问题开拓新路,也为中药多模态研究奠定了基础。

The discovery of active constituents of traditional Chinese medicine(TCM)faces multiple challenges,such as limited approaches to evaluate poly-pharmacological effects,and the lack of systematic methods to identify active constituents.Aimed at these bottleneck problems in the field,the present study intensively discussed the key scientific problems in the identification of active constituents of TCM,based on scientific methodologies including systematology,information theory,and synergetics.A comprehensive strategy is herein proposed to investigate the correlations between the chemical composition and biological activities of TCM,from macro-,meso-,and micro-scales.Moreover,in this study,we systematically proposed the methodology of the multimodal identification of TCM active constituents,and thoroughly constructed its core technologies.Its technical framework is suggested to be assessed by multimodal information acquisition,centered on multisource information fusion,and focused on interaction evaluation.Furthermore,the core technologies for the multimodal identification of active constituents of TCM were developed in this study,which is according to the characteristics of the exchanges of between TCM and biological organisms,in the aspects of material,energy and information.Finally,two examples of the application of the proposed method were briefly introduced.The proposed methodology provides a novel way to solve the bottlenecks in the study of active constituents of TCM,and lays the foundation for the multimodal study of TCM.