Department of Obstetrics and Gynecology, Qilu Hospital of Shandong University, Jinan, 250012, Shandong, China.
Department of Gynecology, Affiliated Hospital of Shandong University of Traditional Chinese Medicine, Jinan, 250014, Shandong, China.
Appl Biochem Biotechnol. 2023 Nov;195(11):6994-7020. doi: 10.1007/s12010-023-04462-5. Epub 2023 Mar 28.
In China, a traditional Chinese medicine formulation called astragalus membranaceus (AM) has been utilised for more than 20 years to treat tumors with extraordinary effectiveness. The fundamental mechanisms, nevertheless, are still not well understood. The aim of this study is identifying its possible therapeutic targets and to evaluate the effects of AM in combination with a PARP inhibitor (olaparib) in the treatment of BRCA wild-type ovarian cancer. Significant genes were collected from Therapeutic Target Database and Database of Gene-Disease Associations. The components of AM were analyzed using the Traditional Chinese Medicine System Pharmacology (TCMSP) database to screen the active ingredients of AM based on their oral bioavailability and drug similarity index. In order to find intersection targets, Venn diagrams and STRING website diagrams were employed. STRING was also used to create a protein-protein interaction network. In order to create the ingredient-target network, Cytoscape 3.8.0 was used. DAVID database was utilized to carry out enrichment and pathway analyses. The binding ability of the active compounds of AM to the core targets of AM-OC was verified with molecular docking using AutoDock software. Experimental validations, including cell scratch, cell transwell, cloning experiment, were conducted to verify the effects of AM on OC cells. A total of 14 active ingredients of AM and 28 AM-OC-related targets were screened by network pharmacology analysis. The ten most significant Gene Ontology (GO) biological function analyses, as well as the 20 foremost Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment pathways were selected. Moreover, molecular docking results showed that bioactive compound (quercetin) demonstrated a good binding ability with tumor protein p53 (TP53), MYC, vascular endothelial growth factor A (VEGFA), phosphatase and tensin homolog (PTEN), AKT serine/threonine kinase 1 (AKT1) and cyclin D1 (CCND1) oncogenes. According to experimental methods, in vitro OC cell proliferation and migration appeared to be inhibited by quercetin, which also increased apoptosis. In addition, the combination with olaparib further enhanced the effect of quercetin on OC. Based on network pharmacology, molecular docking, and experimental validation, the combination of PARP inhibitor and quercetin enhanced the anti-proliferative activity in BRCA wild-type ovarian cancer cells, which supplies the theoretical groundwork for additional pharmacological investigation.
在中国,一种名为黄芪(AM)的中药配方已经使用了 20 多年来治疗肿瘤,效果非常显著。然而,其基本机制仍未得到很好的理解。本研究旨在确定其可能的治疗靶点,并评估 AM 与 PARP 抑制剂(奥拉帕利)联合治疗 BRCA 野生型卵巢癌的效果。从治疗靶点数据库和基因疾病关联数据库中收集了显著基因。使用中药系统药理学(TCMSP)数据库分析 AM 的成分,根据其口服生物利用度和药物相似性指数筛选 AM 的活性成分。为了找到交集靶点,使用了 Venn 图和 STRING 网站图。STRING 还用于创建蛋白质-蛋白质相互作用网络。为了创建成分-靶点网络,使用 Cytoscape 3.8.0。DAVID 数据库用于进行富集和途径分析。使用 AutoDock 软件进行分子对接验证 AM 的活性化合物与 AM-OC 核心靶点的结合能力。进行细胞划痕、细胞迁移、克隆实验等实验验证 AM 对 OC 细胞的作用。通过网络药理学分析筛选出 AM 的 14 种活性成分和 28 个 AM-OC 相关靶点。选择了 10 个最重要的基因本体论(GO)生物功能分析和 20 个最重要的京都基因与基因组百科全书(KEGG)富集途径。此外,分子对接结果表明,生物活性化合物(槲皮素)与肿瘤蛋白 p53(TP53)、MYC、血管内皮生长因子 A(VEGFA)、磷酸酶和张力蛋白同源物(PTEN)、AKT 丝氨酸/苏氨酸激酶 1(AKT1)和周期蛋白 D1(CCND1)癌基因具有良好的结合能力。根据实验方法,体外 OC 细胞增殖和迁移似乎被槲皮素抑制,同时也增加了细胞凋亡。此外,与奥拉帕利联合使用进一步增强了槲皮素对 OC 的作用。基于网络药理学、分子对接和实验验证,PARP 抑制剂和槲皮素的联合使用增强了 BRCA 野生型卵巢癌细胞的抗增殖活性,为进一步的药理研究提供了理论基础。