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利用计算药理学方法研究了中药芪参益气滴丸中含1729个化合物在化学空间分布,结果表明大部分化合物具有较好的类药性质.利用分子对接方法研究了1729个与26个心血管疾病相关的公认靶标的相互作用及它们在靶空间的分布,阐明了芪参益气滴丸抗血管疾病的可能作用机理及活性分子.
The calculated pharmacological method was used to study the chemical spatial distribution of 1729 compounds in Qishen Yiqi dropping pills.It showed that most of the compounds had good drug-like properties.The molecular docking method was used to study the effects of 1729 and 26 cardiovascular Disease-related recognized target interactions and their distribution in the target space, elucidated the Qiganshengqi pill anti-vascular disease possible mechanism of action and active molecules.