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为了揭示远志治疗阿尔茨海默病的潜在活性成分群及其分子网络作用机制,本文收集了已报道的远志111个化学成分,经过口服吸收利用度、类药性和血脑屏障通透性筛选,得到远志中10个活性分子,其中口山酮类化合物3个、皂苷类化合物1个、寡糖酯类化合物3个和其他类3个。继而运用反向药效团匹配的方法进行靶点预测,经验证得到与阿尔茨海默病相关靶点13个,其中核心靶点2个,即beta-secretase 1和glycogen synthase kinase-3 beta;利用KEGG数据库与GO富集分析进一步挖掘远志防治阿尔茨海默病的分子网络机制,得到映射代谢调控通路3条,主要通路为细胞凋亡通路。本文应用系统药理学的方法发现远志中的多种活性成分通过与多个靶点的相互作用,多通路调控Aβ的生成与细胞的凋亡,进而起到治疗阿尔茨海默病的作用,为远志治疗阿尔茨海默病的临床使用提供一定的科学依据。
In order to reveal the mechanism of action of Polygala tenuifolia and its molecular network in the treatment of Alzheimer’s disease, 111 chemical constituents of Polygalaceae Polygala were collected in this paper. After oral absorption and utilization, drug-resistance and blood-brain barrier permeability screening, Obtained 10 Polygalaceae active molecules, of which 3 perforin compounds, 1 saponin compounds, 3 oligosaccharide esters and other three. Then, the target prediction was carried out by the reverse pharmacophore matching method. Thirteen target sites were identified with Alzheimer’s disease, including two core targets, namely, beta-secretase 1 and glycogen synthase kinase-3 beta. Using KEGG database and GO enrichment analysis to further excavate Polygalaceae molecular network mechanism of prevention and treatment of Alzheimer’s disease, mapping metabolic regulation pathway 3, the main pathway for the apoptosis pathway. In this paper, the system pharmacology method found that a variety of Polygalaceae active ingredients through multiple target interactions, multi-pathway regulation of Aβ production and cell apoptosis, and thus play a role in the treatment of Alzheimer’s disease, as Polygala treatment of Alzheimer’s disease to provide a scientific basis for clinical use.