Key laboratory of Follicular Development and Reproductive Health of Liaoning Province, Jinzhou Medical University, Jinzhou, Liaoning Province, 121000, China.
Department of Gynecology and Obstetrics, Third Affiliated Hospital of Jinzhou Medical University, Jinzhou, Liaoning Province, 121000, China.
Chin J Integr Med. 2020 Feb;26(2):106-113. doi: 10.1007/s11655-019-3201-9. Epub 2019 Aug 5.
To predict the chemical compositions and drug targets and to systematically dissect the pharmacological mechanism of Erxian Decoction (, EXD) as a treatment for premature ovarian failure (POF) using a systems pharmacology approach.
The compounds present in EXD were obtained from three databases. The active ingredient was identified by analyzing the values of oral bioavailability (OB), drug-likeness (DL), and Lipinski's rule (LR). The active ingredients were further searched in research articles, drug targets in the DrugBank database, and the C-T and T-P networks, as well as by pathway analysis using the Cytoscape platform.
A total of 728 compounds were identified in EXD. Of these, 59 were identified as active compounds that conformed to the criteria with OB ⩾30% and DL ⩾0.18. By further searches in the literature, 126 related targets were identified that could interact with the active compounds. Additionally, it was found that the beneficial effects of EXD in POF are probably exerted via regulation of the immune system, modulation of estrogen levels, and anti-oxidative activities, and that it may act in a synergistic or cooperative manner with other therapeutic agents.
The systems pharmacology approach is a comprehensive system that was used to elucidate the pharmacological mechanism of EXD as a treatment for POF. The results of this study will also facilitate the application of traditional medicine in modern treatment strategies.
采用系统药理学方法预测二仙汤（EXD）治疗卵巢早衰（POF）的化学成分和药物靶点，并系统剖析其药理机制。
从三个数据库中获取 EXD 中的化合物。通过分析口服生物利用度（OB）、类药性（DL）和 Lipinski 规则（LR）的值来确定活性成分。通过在研究文章、DrugBank 数据库中的药物靶点、C-T 和 T-P 网络中搜索，以及使用 Cytoscape 平台进行通路分析，进一步搜索活性成分。
在 EXD 中共鉴定出 728 种化合物。其中，有 59 种被鉴定为活性化合物，符合 OB ⩾30%和 DL ⩾0.18 的标准。通过进一步在文献中搜索，确定了 126 个相关靶点，这些靶点可以与活性化合物相互作用。此外，研究发现 EXD 对 POF 的有益作用可能是通过调节免疫系统、调节雌激素水平和抗氧化活性来发挥作用的，并且它可能与其他治疗剂以协同或合作的方式发挥作用。
系统药理学方法是一种全面的系统，用于阐明 EXD 治疗 POF 的药理机制。本研究的结果也将有助于传统医学在现代治疗策略中的应用。
