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药对“川楝子-延胡索”治疗肝癌的网络药理学研究

章甜 贾思静 孙冬雪 龙奉玺 唐东昕 杨柱

章甜,贾思静,孙冬雪,等. 药对“川楝子-延胡索”治疗肝癌的网络药理学研究[J]. 临床肝胆病杂志, 2021, 37(9): 2136-2143. DOI: 10.3969/j.issn.1001-5256.2021.09.026
引用本文: 章甜,贾思静,孙冬雪,等. 药对“川楝子-延胡索”治疗肝癌的网络药理学研究[J]. 临床肝胆病杂志, 2021, 37(9): 2136-2143. DOI: 10.3969/j.issn.1001-5256.2021.09.026
ZHANG T, JIA SJ, SUN DX, et al. Mechanism of 'Szechwan Chinaberry Fruit-Rhizoma Corydalis' drug combination in treatment of liver cancer based on network pharmacology[J]. J Clin Hepatol, 2021, 37(9): 2136-2143. DOI: 10.3969/j.issn.1001-5256.2021.09.026
Citation: ZHANG T, JIA SJ, SUN DX, et al. Mechanism of "Szechwan Chinaberry Fruit-Rhizoma Corydalis" drug combination in treatment of liver cancer based on network pharmacology[J]. J Clin Hepatol, 2021, 37(9): 2136-2143. DOI: 10.3969/j.issn.1001-5256.2021.09.026

药对“川楝子-延胡索”治疗肝癌的网络药理学研究

DOI: 10.3969/j.issn.1001-5256.2021.09.026
基金项目: 

中医肿瘤学研究生工作站 JYSZ(2014)018

贵州省高层次创新型人才培养计划(百层次) (2016)4032

贵州省中医肿瘤传承与科技创新人才基地 (2018)3

贵州省杨柱“中医肿瘤学”研究生导师工作室 GZS(2016)08

贵阳市科技局贵州中医药大学第一附属医院大健康科技合作项目 (2019)9-2

贵州省科技厅贵州省中医肿瘤传承与科技创新人才团队 (2020)5013

国家自然科学基金 81660833

贵州中医药大学研究生教育创新计划 YFYYJSCX2018-28

详细信息
    通讯作者:

    龙奉玺,1343750581@qq.com

  • 中图分类号: R735.7

Mechanism of "Szechwan Chinaberry Fruit-Rhizoma Corydalis" drug combination in treatment of liver cancer based on network pharmacology

Funds: 

Postgraduate Workstation of TCM Oncology JYSZ(2014)018

High-level Innovative Talent Cultivation Plan of Guizhou Province (Hundred Levels) (2016)4032

Guizhou Provincial Talent Base for TCM Tumor Inheritance and Science and technology Innovation (2018)3

Yang Zhu "Traditional Chinese Medicine Oncology" Graduate Tutor Studio, Guizhou Province GZS(2016)08

Large health science and technology Cooperation project of the First Affiliated Hospital of Guizhou University of Traditional Chinese Medicine, Guiyang Science and Technology Bureau (2019)9-2

Guizhou Provincial Department of Science and Technology of Traditional Chinese Medicine Tumor Inheritance and Science and Technology Innovation Talent Team (2020)5013

National Natural Science Foundation of China 81660833

Graduate Education Innovation Program of Guizhou University of Traditional Chinese Medicine YFYYJSCX2018-28

  • 摘要:   目的  基于网络药理学方法研究药对“川楝子-延胡索”药理成分,分析该药对治疗肝癌的潜在分子机制。  方法  借助相关数据库如TCMSP、Uniprot、Genecard等分别搜集中药川楝子、延胡索的有效成分、对应作用靶点以及疾病肝癌的靶点,选取药物、疾病交集靶点。此外,通过String、Metascape数据库筛选药物作用核心靶点并完成GO功能和KEGG通路富集分析。  结果  中药川楝子、延胡索的有效成分分别为6、49个,共同成分1个;作用靶点分别为181、1097个,共同靶点143个;药对与肝癌的交集靶点162个,主要涉及的基因为IL6、TP53、VEGFA、TNF、CASP3;KEGG分析主要涉及通路为癌症通路、糖尿病并发症的AGE-RAGE信号通路、TNF信号通路、NF-κB信号通路、甲状腺激素信号通路等。  结论  药对“川楝子-延胡索”中含有多种不同成分,该成分可通过作用于相关基因及信号通路发挥治疗肝癌的作用。

     

  • 图  1  药对“川楝子-延胡索”治疗肝癌的靶点基因的GO功能分析(含BP、MF、CC)

    图  2  药对“川楝子-延胡索”治疗肝癌的靶点基因的KEGG信号通路分析

    表  1  药对“川楝子-延胡索”中中药活性成分详情

    中药 简称 MOL ID 分子名称 OB(%) DL(%)
    川楝子(简称:CLZ) CLZ1 MOL001494 Mandenol 42.00 0.19
    CLZ2 MOL001495 Ethyl linolenate 46.10 0.20
    CLZ3 MOL002045 Stigmasterol 43.41 0.76
    CLZ4 MOL002056 (E)-3-[(2S, 3R)-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-3-methylol-2, 3-dihydrobenzofuran-5-yl]acrolein 54.74 0.40
    CLZ5 MOL002058 Medioresil 57.20 0.62
    延胡索(简称:YHS) YHS1 MOL001454 Berberine 36.86 0.78
    YHS2 MOL001458 Coptisine 30.67 0.86
    YHS3 MOL001460 Cryptopin 78.74 0.72
    YHS4 MOL001461 Dihydrochelerythrine 32.73 0.81
    YHS5 MOL001463 Dihydrosanguinarine 59.31 0.86
    YHS6 MOL001474 Sanguinarine 37.81 0.86
    YHS7 MOL000217 (S)-Scoulerine 32.28 0.54
    YHS8 MOL002670 Cavidine 35.64 0.81
    YHS9 MOL002903 (R)-Canadine 55.37 0.77
    YHS10 MOL000359 Sitosterol 36.91 0.75
    YHS11 MOL004071 Hyndarin 73.94 0.64
    YHS12 MOL004190 (-)-alpha-N-methylcanadine 45.06 0.80
    YHS13 MOL004191 Capaurine 62.91 0.69
    YHS14 MOL004193 Clarkeanidine 86.65 0.54
    YHS15 MOL004195 Corydaline 65.84 0.68
    YHS16 MOL004196 Corydalmine 52.50 0.59
    YHS17 MOL004197 Corydine 37.16 0.55
    YHS18 MOL004198 Corynoline 46.06 0.85
    YHS19 MOL004199 Corynoloxine 38.12 0.60
    YHS20 MOL004200 Methyl-[2-(3, 4, 6, 7-tetramethoxy-1-phenanthryl)ethyl]amine 61.15 0.44
    YHS21 MOL004202 Dehydrocavidine 38.99 0.81
    YHS22 MOL004203 Dehydrocorybulbine 46.97 0.63
    YHS23 MOL004204 Dehydrocorydaline 41.98 0.68
    YHS24 MOL004205 Dehydrocorydalmine 43.90 0.59
    YHS25 MOL004208 Demethylcorydalmatine 38.99 0.54
    YHS26 MOL004209 13-methyldehydrocorydalmine 35.94 0.63
    YHS27 MOL004210 (1S, 8′R)-6, 7-dimethoxy-2-methylspiro[3, 4-dihydroisoquinoline-1, 7′-6, 8-dihydrocyclopenta [g][1, 3]benzodioxole]-8′-ol 43.95 0.72
    YHS28 MOL004763 Izoteolin 39.53 0.51
    YHS29 MOL004214 Isocorybulbine 40.18 0.66
    YHS30 MOL004215 leonticine 45.79 0.26
    YHS31 MOL004216 13-methylpalmatrubine 40.97 0.63
    YHS32 MOL004220 N-methyllaurotetanine 41.62 0.56
    YHS33 MOL004221 Norglaucing 30.35 0.56
    YHS34 MOL004224 Pontevedrine 30.28 0.71
    YHS35 MOL004225 Pseudocoptisine 38.97 0.86
    YHS36 MOL004226 Pseudoprotopine 53.75 0.83
    YHS37 MOL004228 Saulatine 42.74 0.79
    YHS38 MOL004230 Stylopine 48.25 0.85
    YHS39 MOL004231 Tetrahydrocorysamine 34.17 0.86
    YHS40 MOL004232 Tetrahydroprotopapaverine 57.28 0.33
    YHS41 MOL004233 Thaliporphine 31.87 0.56
    YHS42 MOL004234 2, 3, 9, 10-tetramethoxy-13-methyl-5, 6- dihydroisoquinolino[2, 1-b]isoquinolin-8-one 76.77 0.73
    YHS43 MOL000449 Stigmasterol 43.83 0.76
    YHS44 MOL000785 Palmatine 64.60 0.65
    YHS45 MOL000787 Fumarine 59.26 0.83
    YHS46 MOL000790 Isocorypalmine 35.77 0.59
    YHS47 MOL000791 Bicuculline 69.67 0.88
    YHS48 MOL000793 Bulbocapnine 47.54 0.69
    共同成分 A1 MOL000098 Quercetin 46.43 0.28
    注:简称用于Cytocape软件制图。
    下载: 导出CSV
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