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Molecular mechanism of Spatholobi Caulis in treatment of ovarian cancer based on network pharmacology and experimental verification 基于网络药理学和实验验证分析鸡血藤治疗卵巢癌的分子机制
Zhu, Shi Chun1; Cai, Jun3; Wu, Cheng Yu1; Cheng, Chun Song2,3
2022-02-01
Source PublicationZhongguo Zhongyao Zazhi
ISSN1001-5302
Volume47Issue:3Pages:786-795
AbstractThe present study explored the main active ingredients and the underlying mechanism of Spatholobi Caulisin the treatment of ovarian cancer (OC) by network pharmacology, molecular docking, and in vitro cell experiments. The active ingredients and their predicted targets (AITs) were first acquired online with the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP). Theoretical disease targets (DTs) were obtained through professional databases including GeneCards, OMIM, PharmGkb, TTD, and DrugBank. The common targets in the intersection of AITs and DTs were used for the construction of a "drug-ingredient-disease-target" network by Cytoscape 3.7.1. STRING database was used to construct a protein-protein interaction (PPI) network. R 4.0.5 was used for GO and KEGG functional enrichment analyses. Schrödinger Maestro was used to perform and optimize the molecular docking and virtual screening.Twenty-three active ingredients of Spatholobi Caulis were screened out, involving 75 OC targets and 178 signaling pathways.Network analysis revealed that Spatholobi Caulis presumedly exerted an anti-OC effect by acting on key protein targets such as GSK-3β, Bcl-2, and Bax. Molecular docking showed that GSK-3β possessed goodbinding activity to prunetin. In vitro cell experiments preliminarily verified the core targets and pathways of prunetin, the active ingredient of Spatholobi Caulis against human OC SKOV3 cells.CCK-8 assay was used to detect the cell proliferation, and flow cytometry was used to detect the effect of prunetin on apoptosis of human OC SKOV3 cells.The expression of prunetin targets and related regulatory proteins was detected by Western blot.In vitro cell experiments demonstrated that prunetindisplayed significant inhibitory effects on the proliferation of OC cells and could induce apoptosis of SKOV3 cells. Western blot showed that prunetin could induce SKOV3 cell apoptosis by inhibiting GSK-3β phosphorylation and regulating the expression of downstream Bcl-2 and Bax proteins. This study reveals the scientific nature of network pharmacology in the prediction and guidance of experimental design, confirming that prunetin can treat OC by blocking the GSK-3β/Bcl-2/Bax cell signal transduction pathway. The findings are expected to provide a basis for the investigation of the mechanism of Spatholobi Caulis in the treatment of OC.
KeywordMolecular docking Network pharmacology Ovarian cancer Prunetin Spatholobi Caulis
DOI10.19540/j.cnki.cjcmm.20211103.703
URLView the original
Language中文Chinese
Scopus ID2-s2.0-85124776980
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Document TypeJournal article
CollectionUniversity of Macau
Affiliation1.School of Traditional Chinese Medicine and School of Integrated Chinese and Western Medicine, Nanjing University of Chinese Medicine, Nanjing, 210023, China
2.Resource Plant Research Center, Lushan Botanical Garden, Chinese Academy of Sciences, Jiujiang, 332900, China
3.State Key Laboratory of Quality Research in Chinese Medicines, Macau University of Science and Technology, Macau, 999078, Macao
Recommended Citation
GB/T 7714
Zhu, Shi Chun,Cai, Jun,Wu, Cheng Yu,等. Molecular mechanism of Spatholobi Caulis in treatment of ovarian cancer based on network pharmacology and experimental verification 基于网络药理学和实验验证分析鸡血藤治疗卵巢癌的分子机制[J]. Zhongguo Zhongyao Zazhi, 2022, 47(3), 786-795.
APA Zhu, Shi Chun., Cai, Jun., Wu, Cheng Yu., & Cheng, Chun Song (2022). Molecular mechanism of Spatholobi Caulis in treatment of ovarian cancer based on network pharmacology and experimental verification 基于网络药理学和实验验证分析鸡血藤治疗卵巢癌的分子机制. Zhongguo Zhongyao Zazhi, 47(3), 786-795.
MLA Zhu, Shi Chun,et al."Molecular mechanism of Spatholobi Caulis in treatment of ovarian cancer based on network pharmacology and experimental verification 基于网络药理学和实验验证分析鸡血藤治疗卵巢癌的分子机制".Zhongguo Zhongyao Zazhi 47.3(2022):786-795.
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