[1]雷雅婷 唐 浪 吴广阳.基于网络药理学与分子对接探讨丹参-川芎药对改善肝癌癌前病变的作用机制[J].大众科技,2022,24(07):96-101.
　Investigation on the Mechanism of Salvia Miltiorrhiza-Ligusticum Wallichi Couplet Medicines in Improving Precancerous Lesions of Liver Cancer Based on Network Pharmacology and Molecular Docking[J].Popular Science & Technology,2022,24(07):96-101.
点击复制

基于网络药理学与分子对接探讨丹参-川芎药对改善肝癌癌前病变的作用机制()
分享到：

《大众科技》[ISSN:1008-1151/CN:45-1235/N]

卷:
24
期数:
2022年07
页码:
96-101
栏目:
医药与卫生
出版日期:
2022-07-20

文章信息/Info

Title:
Investigation on the Mechanism of Salvia Miltiorrhiza-Ligusticum Wallichi Couplet Medicines in Improving Precancerous Lesions of Liver Cancer Based on Network Pharmacology and Molecular Docking
作者:
雷雅婷 唐 浪 吴广阳　
（湖北民族大学医学部，湖北 恩施 445000）
关键词:
丹参-川芎药对; 肝癌癌前病变; 网络药理学与分子对接
Keywords:
salvia miltiorrhiza-ligusticum wallichii couplet medicines precancerous lesions of liver cancer network pharmacology and molecular docking
文献标志码:
A
摘要:
目的：应用网络药理学、分子对接技术预测丹参-川芎药对改善气滞血瘀型肝癌癌前病变的机制。方法：利用TCMSP提取丹参、川芎的化合物组成与靶点关系。利用OMIM和GeneCards网站获得肝癌的疾病靶点，依据交集靶点，通过STRING网站获得蛋白互作网络，R语言V4.0.3进行GO、KEGG富集分析。结果：关键靶蛋白为ESR1、HSP90AA1、CCND1等，排名靠前的化合物是木犀草素、3β-羟基丹参酮IIA等；KEGG富集通路发现丹参-川芎药对影响肝癌癌前病变主要通过乙型肝炎、PI3K-AKT等信号通路；分子对接结果显示木犀草素等有效化合物都能与ESR1、HSP90AA1、CCND1等核心靶蛋白良好的结合。结论：丹参-川芎药对改善肝癌癌前病变具有多靶点，多通路的特点。其治疗机制可能与调控ESR1、HSP90AA1、CCND1等关键蛋白的活性有关。
Abstract:
Objective: To predict the mechanism of salvia miltiorrhiza-ligusticum wallichii couplet medicines in improving precancerous lesions of liver cancer of Qi stagnation and blood stasis type by using network pharmacology and molecular docking technology. Methods: TCMSP was used to extract the relationship between compound composition and target of salvia miltiorrhiza and ligusticum wallichi. OMIM and GeneCards websites were used to obtain liver cancer disease targets. According to the intersection targets, protein interaction network was obtained through STRING website. GO and KEGG enrichment analysis was performed in R language V4.0.3. Results: The key target proteins were ESR1, HSP90AA1, CCND1, etc., and the top compounds were Luteolin, 3β-hydroxytanshinone IIA, etc. KEGG enrichment pathway found that the effect of salvia miltiorrhiza-ligusticum wallichii couplet medicines on liver precancerous lesions of liver cancer was mainly through hepatitis B, PI3K-AKT and other signal pathways molecular docking results showed that luteolin and other effective compounds could well bind to ESR1, HSP90AA1, CCND1 and other core target proteins. Conclusion: Salvia miltiorrhiza-ligusticum wallichii couplet medicines have the characteristics of multi-target and multi-channel in improving precancerous lesions of liver cancer. Its therapeutic mechanism may be related to the regulation of the activities of key proteins such as ESR1, HSP90AA1 and CCND1.

参考文献/References:

[1] Bray F, Ferlay J, Soerjomataram I, et al. Global cancer statistics 2018: GLOBOCAN estimates of incidence and mortality worldwide for 36 cancers in 185 countries[J]. CA: A Cancer Journal for Clinicians, 2018, 68(6): 394-424. [2] 张宇，陈华国，赵超，等. 中药有效成分抗肝癌作用机制研究进展[J]. 中国中药杂志，2020，45(14): 3395-3406. [3] Luo X Y, Wu K M, He X X. Advances in drug development for hepatocellular carcinoma: clinical trials and potential therapeutic targets[J]. Journal of Experimental and Clinical Cancer Research, 2021, 40(1): 172. [4] 邵峰，曾普华，曾光，等. 628例中晚期原发性肝癌患者中医证素分布特点[J]. 中华中医药杂志，2019，34(8): 3439-3442. [5] 卢鑫，张馨月，林逸婷，等. 基于网络药理学—分子对接探讨四逆散“异病同治”溃疡性结肠炎和肠易激综合征的作用机制[J]. 中药药理与临床，2021，46(16): 1-25. [6] Bray F, Ferlay J, Soerjomataram I, et al. Global cancer statistics 2018: GLOBOCAN estimates of incidenceand mortality worldwide for 36 cancers in 185 countries[J]. CA: A Cancer Journal for Clinicians, 2018, 68(6): 394-424. [7] Zuo T T, Zheng R S, Zhang S W, et al. Incidence and mortality of liver cancer in China in 2011[J]. Chinese Journal of Cancer, 2015, 34(11): 508-513. [8] Fan J H, Wang J B, Jiang Y, et al. Attributable causes of liver cancer mortality and incidence in china[J]. Asian Pacific Journal of Cancer Prevention, 2013, 14(12): 7251-7256. [9] Jia Y, Li L, Cui F, et al. Cost-effectiveness analysis of a hepatitis B vaccination catch-up program among children in Shandong Province, China[J]. Human Vaccines and Immunotherapeutics, 2014, 10(10): 2983-2991. [10] Zhang Q, Qi W, Wang X, et al. Epidemiology of hepatitis B and hepatitis C infections and benefits of programs for hepatitis prevention in northeastern China: a cross-sectional study[J]. Clinical Infectious Diseases, 2016, 62(3): 305-312. [11] Charrez B, Qiao L, Hebbard L. Hepatocellular carcinoma and non-alcoholic steatohepatitis: the state of play[J]. World Journal of Gastroenterology, 2016, 22(8): 2494-2502. [12] Ko K P, Shin A, Cho S, et al. Environmental contributions to gastrointestinal and liver cancer in the Asia-Pacific region[J]. Journal of Gastroenterology and Hepatology, 2018, 33(1): 111-120. [13] El-Serag H B. Epidemiology of viral hepatitis and hepatocellular carcinoma[J]. Gastroenterology, 2012, 142(6): 1264-1273. [14] Palmer J R, Rosenberg L, Kaufman D W, et al. Oral contraceptive use and liver cancer[J]. American Journal of Epidemiology, 1989, 130(5): 878-882. [15] Yang F, Ma L, Yang Y, et al. Contribution of hepatitis B virus infection to the aggressiveness of primary liver cancer: a clinical epidemiological study in eastern China[J]. Frontiers in Oncology, 2019, 9: 370. [16] Liang X, Bi S, Yang W, et al. Epidemiological serosurvey of hepatitis B in China-declining HBV prevalence due to hepatitis B vaccination[J]. Vaccine, 2009, 27(47): 6550-6557. [17] Liu Z, Yang Q, Shi O, et al. The epidemiology of hepatitis B and hepatitis C infections in China from 2004 to 2014: An observational population-based study[J]. Journal of Viral Hepatitis, 2018, 25(12): 1543-1554. [18] El-Serag H B. Epidemiology of viral hepatitis and hepatocellular carcinoma[J]. Gastroenterology, 2012, 142(6): 1264-1273. [19] Hu L, Huang X, You C, et al. Prevalence of overweight, obesity, abdominal obesity and obesity-related risk factors in southern China[J]. PLoS One, 2017, 12(9): e183934. [20] Pawlotsky J M. Hepatitis C virus resistance to direct-acting antiviral drugs in interferon-free regimens[J]. Gastroenterology, 2016, 151(1): 70-86. [21] Li Y, Yamane D, Masaki T, et al. The yin and yang of hepatitis C: synthesis and decay of hepatitis C virus RNA[J]. Nature Reviews Microbiology, 2015, 13(9): 544-558. [22] Guo L, Deng J, He Y, et al. Alcohol use and alcohol-related problems among adolescents in China: A large-scale cross-sectional study[J]. Medicine, 2016, 95(38): e4533. [23] Chuang S C, La Vecchia C, Boffetta P. Liver cancer: descriptive epidemiology and risk factors other than HBV and HCV infection[J]. Cancer Letters, 2009, 286(1): 9-14. [24] Pimpin L, Cortez-Pinto H, Negro F, et al. Burden of liver disease in Europe: epidemiology and analysis of risk factors to identify prevention policies[J]. Journal of Hepatology, 2018, 69(3): 718-735. [25] Sun Z, Chen T, Thorgeirsson S S, et al. Dramatic reduction of liver cancer incidence in young adults: 28 year follow-up of etiological interventions in an endemic area of China[J]. Carcinogenesis, 2013, 34(8): 1800-1805. [26] 李菁，莫嘉浩，许洪彬，等. 基于网络药理学与分子对接研究四逆散治疗肝癌的作用机制[J]. 临床肝胆病杂志，2020，36(9): 1998-2004. [27] 肖岚，朱宏，张婷，等. 董克礼教授治疗原发性肝癌临床经验[J]. 陕西中医，2020，41(11): 1639-1642. [28] 皇甫炎林，吴辉坤. 中药复方体外抑制肝细胞增殖研究[J]. 中医学报，2020，35(10): 2212-2214. [29] 陈思翰，朱德东，付丽云. 木犀草素对顺铂诱导肝癌HepG2细胞凋亡的增敏作用及机制[J]. 中国临床药理学杂志，2018，34(14): 1637-1640. [30] 洪莹晖，叶明亮，罗杰，等. 沉默促癌基因Yap1联合丹参酮ⅡA对肝癌细胞Huh-7的影响[J]. 临床肝胆病杂志，2021，37(2): 348-353. [31] 刘金丽，佟雷，宋懿玲，等. 隐丹参酮对人肝癌HepG2细胞自噬及PI3K/Akt/mTOR信号通路的影响[J]. 现代预防医学，2021，48(13): 2431-2435. [32] Wu Y, Zhang M, Bi X, et al. ESR1 mediated circ_0004018 suppresses angiogenesis in hepatocellular carcinoma via recruiting FUS and stabilizing TIMP2 expression[J]. Experimental cell research, 2021, 408(2): 112804. [33] Xiang X, You X M, Li L Q. Expression of HSP90AA1/HSPA8 in hepatocellular carcinoma patients with depression[J]. OncoTargets and Therapy, 2018, 11: 3013-3023. [34] Ding H, Wang Y, Zhang H. CCND1 silencing suppresses liver cancer stem cell differentiation and overcomes 5-Fluorouracil resistance in hepatocellular carcinoma[J]. Journal of Pharmacological Sciences, 2020, 143(3): 219-225. [35] 章诺贝，沈浩，黄神安，等. LncRNA SNHG12通过miR-129-5p/GTPBP4对肝细胞癌进展的促进作用[J]. 第三军医大学学报，2021，43(18): 1783-1795. [36] Fu Z T, Wang H T, Lu Z L, et al. Spatial clustering analysis and trend of liver cancer death rate in Shandong province, 1970-2013[J]. Chinese Journal of Epidemiology, 2020, 41(11): 1865-1870. [37] Feng R M, Zong Y N, Cao S M, et al. Current cancer situation in China: good or bad news from the 2018 Global Cancer Statistics[J]. Cancer Communications, 2019, 39(1): 22. [38] Goodson W R, Lowe L, Carpenter D O, et al. Assessing the carcinogenic potential of low-dose exposures to chemical mixtures in the environment: the challenge ahead[J]. Carcinogenesis, 2015, 36(Suppl 1): S254-S296.

备注/Memo

备注/Memo:
【收稿日期】2022-04-28 【作者简介】雷雅婷（1997－），女，湖北民族大学医学部学生，硕士，研究方向为中医内科学。 【通信作者】吴广阳（1994－），男，湖北民族大学医学部学生，硕士，从事民族医药研究。
更新日期/Last Update: 2022-09-08