Stepwise rapid tracking strategy to identify active molecules from Ixeris sonchifolia Hance based on “‘affinity mass spectrometry-atomic force microscopy imaging’” technology

化学 分子 生物物理学 小分子 生物化学 生物 有机化学
作者
Xing Wang,Ying Li,Meiling Chen,Chunyan Li,Wei Huang,Kun Gu,Hongxin Yu,Yuan Yu,Yuming Wang,Bin Yang,Yubo Li
出处
期刊:Talanta [Elsevier BV]
卷期号:217: 121031-121031 被引量:10
标识
DOI:10.1016/j.talanta.2020.121031
摘要

In this study, a novel stepwise rapid tracking strategy was reported to identify the active molecules from Ixeris sonchifolia Hance (IsH) in the treatment of coronary heart disease (CHD) based on “affinity mass spectrometry (MS)-atomic force microscopy (AFM) imaging” technology. First, vascular endothelial growth factor receptor 2 (VEGFR2) of the vascular endothelial growth factor (VEGF) signal transduction pathway located on the cell membrane was revealed to be the core target protein in CHD treatment through network pharmacology and bioinformatics. In addition, affinity MS screening based on VEGFR2 identified isochlorogenic acid A and luteolin-7-O-glucuronide as having stronger affinity with VEGFR2. Then, the active molecule was elucidated based on the observation that its actions accompanied the molecular morphological changes by AFM imaging and it could act on the binding pocket of VEGFR2 through molecular docking which further demonstrated the analysis and inference of AFM imaging. The methyl thiazolyl tetrazolium (MTT) assay finally confirmed that the active molecules specifically combined with the potential core target protein to protect the viability of cardiomyocytes, which identified the main potential active molecules in IsH for the treatment of CHD and provided a possible mechanism for the protective role of the drug. The technology established in this study could facilitate the rapid tracing of potential active molecules in traditional Chinese medicine (TCM), which would provide further a reference for research on quality, molecular mechanisms and new drugs.
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