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Exploring the potential of Huangqin Tang in breast cancer treatment using network pharmacological analysis and experimental verification

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机构: [1]Chengdu Univ Tradit Chinese Med, Sch Pharm, 1166 Liutai Ave, Chengdu 611137, Peoples R China [2]Univ Elect Sci & Technol China, Sichuan Canc Hosp & Inst, Affiliated Canc Hosp, Sichuan Canc Ctr,Sichuan Clin Res Ctr Canc,Dept Cl, Chengdu 610041, Peoples R China [3]Chengdu Med Coll, Sichuan Prov Matern & Child Hlth Care Hosp, Affiliated Womens & Childrens Hosp, Lab Med Ctr, Chengdu 610041, Peoples R China [4]Southwest Jiaotong Univ, Sch Life Sci & Engn, Chengdu 610031, Peoples R China [5]Univ Elect Sci & Technol China, Sichuan Canc Hosp & Inst, Affiliated Canc Hosp, Sichuan Canc Ctr,Sichuan Clin Res Ctr Canc,Dept Ph, Chengdu, Peoples R China
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关键词: Huangqin tang Traditional chinese medicine Breast cancer Network pharmacology Mechanism Molecular docking

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Aims of this study This study aims to investigate the potential of Huangqin Tang (HQT), a traditional Chinese medicine formulation, in the treatment of breast cancer (BC) through a comprehensive approach integrating network pharmacology, molecular docking, and experimental validation.Methods Chemical composition and target information of HQT were collected using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP). Disease-related target genes were obtained from the GeneCards database. Network pharmacological analysis, including construction of compound-disease-target networks and protein-protein interaction networks, was performed. Molecular docking simulations were conducted to evaluate the binding affinity between HQT components and key targets. Experimental validation was carried out using cell viability assays, clone formation assays, flow cytometry, Western blotting, and pathway analysis.Results A total of 210 candidate targets were identified. Network analysis revealed STAT3, AKT1, MAPK3 etc. as central targets. Enrichment analysis suggested HQT may exert anti-tumor effects through regulating lipid metabolism and inflammation related pathways. Molecular docking showed that the key compounds baicalein, wogonin, kaempferol and quercetin all bound effectively to MAPK1. The binding of baicalein to IL6 and naringenin to TNF-alpha was also relatively stable. The experimental results demonstrated that HQT effectively inhibited the proliferation of breast cancer cells, with IC50 values of 2.334 mg/mL and 1.749 mg/mL in MCF-7 cells at 24 h and 48 h, and IC50 values of 1.286 mg/mL and 1.496 mg/mL in MDA-MB-231 cells at 24 h and 48 h, respectively. Furthermore, HQT induced cell cycle arrest at the G2/M phase in breast cancer cells and downregulated the expression of related proteins including CDK1, Cyclin B1, CDK2, and Cyclin E. Additionally, HQT promoted apoptosis in breast cancer cells by upregulating the expression of Bak and CC-3, while downregulating the expression of Bcl-2. Notably, HQT also exhibited regulatory effects on the HIF-1 signaling pathway.Conclusions This study provides insights into the potential multi-component and multi-target mechanisms of HQT against BC, suggesting it may achieve therapeutic effects through regulating inflammatory response and cancer-related pathways via the identified active compounds and targets. The findings highlight the importance of integrating traditional medicine with modern approaches for the development of novel cancer therapies.

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大类 | 2 区 医学
小类 | 2 区 全科医学与补充医学
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大类 | 2 区 医学
小类 | 2 区 全科医学与补充医学
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出版当年[2023]版:
Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE
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Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE

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第一作者机构: [1]Chengdu Univ Tradit Chinese Med, Sch Pharm, 1166 Liutai Ave, Chengdu 611137, Peoples R China [2]Univ Elect Sci & Technol China, Sichuan Canc Hosp & Inst, Affiliated Canc Hosp, Sichuan Canc Ctr,Sichuan Clin Res Ctr Canc,Dept Cl, Chengdu 610041, Peoples R China
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