Kanwal Aqsa, Azeem Farrukh, Nadeem Habibullah, Ashfaq Usman Ali, Aadil Rana Muhammad, Kober A K M Humayun, Rajoka Muhammad Shahid Riaz, Rasul Ijaz
Department of Bioinformatics and Biotechnology, Government College University Faisalabad, Faisalabad 38000, Pakistan.
National Institute of Food Science and Technology, University of Agriculture Faisalabad, Faisalabad 38000, Pakistan.
Pharmaceutics. 2022 Sep 19;14(9):1970. doi: 10.3390/pharmaceutics14091970.
Epithelial ovarian cancer (EOC) is one of the deadliest reproductive tract malignancies that form on the external tissue covering of an ovary. is popular for its anti-inflammatory and anticarcinogenic properties in conventional medications. Nevertheless, its molecular mechanisms are still unclear. The current study evaluated the potential of for the treatment of EOC using network pharmacology approach integrated with molecular docking. Eight active constituents of were obtained from two independent databases and the literature, and their targets were retrieved from the SwissTargetPrediction. In total, 1077 EOC associated genes were retrieved from DisGeNET and GeneCardsSuite databases, and 800 potential targets of eight active constituents of were mapped to the 1077 EOC targets and intersected targets from two databases. Ultimately, 98 potential targets were found from for EOC. Finally, the protein-protein interaction network (PPI) topological interpretation revealed AKT1, CTNNB1, ESR1, and CASP3 as key targets. This is the first time four genes have been found against EOC from . The major enriched pathways of these candidate genes were established by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) investigations. To confirm the network pharmacology findings, the molecular docking approach demonstrated that active molecules have higher affinity for binding to putative targets for EOC suppression. More pharmacological and clinical research is required for the development of a drug to treat EOC.
上皮性卵巢癌（EOC）是在卵巢外部组织覆盖物上形成的最致命的生殖道恶性肿瘤之一。在传统药物中因其抗炎和抗癌特性而受到关注。然而，其分子机制仍不清楚。本研究采用网络药理学方法结合分子对接评估了[具体药物或物质名称未提及]治疗EOC的潜力。从两个独立数据库和文献中获得了[具体药物或物质名称未提及]的八种活性成分，并从SwissTargetPrediction中检索了它们的靶点。总共从DisGeNET和GeneCardsSuite数据库中检索到1077个与EOC相关的基因，将[具体药物或物质名称未提及]的八种活性成分的800个潜在靶点映射到1077个EOC靶点以及两个数据库的交集靶点上。最终，从[具体药物或物质名称未提及]中发现了98个针对EOC的潜在靶点。最后，蛋白质-蛋白质相互作用网络（PPI）拓扑分析显示AKT1、CTNNB1、ESR1和CASP3为关键靶点。这是首次从[具体药物或物质名称未提及]中发现针对EOC的四个基因。通过基因本体论（GO）和京都基因与基因组百科全书（KEGG）研究确定了这些候选基因的主要富集途径。为了证实网络药理学研究结果，分子对接方法表明活性分子对与抑制EOC的假定靶点结合具有更高的亲和力。开发治疗EOC的药物还需要更多的药理学和临床研究。
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