基于药物靶标识别中药活性成分的研究方法及应用

Research method and application of identifying active ingredients of traditional Chinese medicine based on drug target

中药小分子与生物体内靶标蛋白的相互作用是中药发挥药理作用的基础,现代科学技术的发展和药物作用靶标的揭示为中药活性成分的研究提供了新的技术和手段。基于已知的药物作用靶标,阐明中药的有效成分及其作用机制已成为中药学研究和发展的重要方向。基于化学和生物技术与计算机虚拟筛选技术两大视角,总结了亲和超滤质谱技术、分子生物色谱技术、磁珠富集技术、等离子共振技术、生物膜干涉技术、分子对接技术、药效团模型和机器学习8种基于药物靶标识别中药活性成分的研究方法与应用现状,以期补充传统药物发现的方法,为该领域研究提供借鉴与参考。

The interaction between small molecules of traditional Chinese medicine(TCM) and target proteins in vivo is the basis of its pharmacological effects.The development of modern science and technology and the discovery of drug targets provide new techniques and methods for the research of active ingredients of TCM.Based on known drug action target,it is an important direction of research and development of TCM to reveal the active ingredients and its mechanism of action by using modern science and technology.Based on chemical and biological technology and computer virtual screening technology,eight research methods and application status of identifying active components of TCM based on drug target including affinity ultrafiltration mass spectrometry,molecular biochromatography,magnetic bead enrichment,surface plasmon resonance,biolayer interferometry,molecular docking technology,pharmacophore model and machine learning are summarized,with a view to supplementing the traditional methods of drug discovery and providing references for the researchers in this field.