桂枝汤核心药组活性成分关联靶点研究数据
收藏资源简介:
该数据集整合了四味温里药材的活性成分-靶点-功效信息,涵盖黄酮、皂苷、挥发油等1 800余个小分子及其作用于心血管、免疫、代谢等通路的1 200余个潜在靶点,提供ADME、QSAR参数及分子-靶点-通路-证候多维关联。面向经方配伍机制解析、温里方现代化研究及中药新药发现,可支撑“辛甘化阳”经典理论的系统验证与精准用药策略制定。
This dataset integrates active ingredient-target-efficacy information from four warming interior medicinal herbs. It contains over 1,800 small molecules such as flavonoids, saponins and volatile oils, along with more than 1,200 potential targets that act on pathways associated with cardiovascular, immune, metabolic and other physiological systems. The dataset also provides ADME and QSAR parameters, as well as multi-dimensional associations among molecules, targets, pathways and traditional Chinese medicine (TCM) syndromes. Aimed at analyzing the compatibility mechanisms of classical TCM prescriptions, conducting modernization research on warming interior formulas, and facilitating the discovery of new TCM drugs, this dataset can support the systematic validation of the classic "Xin Gan Hua Yang" theory (the mechanism where pungent and sweet herbal flavors transform into yang qi) and the formulation of precise medication strategies.




