基于网络药理学-分子对接技术研究贞芪扶正颗粒治疗大肠癌相关性疲乏的作用机制

doi:10.3969/j.issn.1004-616x.2022.05.002

Abstract

Abstract: OBJECTIVE: To explore mechanisms of Zhenqi Fuzheng granules in the treatment of colorectal cancer-related fatigue.METHODS: The main chemical components of Astragalus membranaceus and Ligustrum lucidum were obtained from the traditional Chinese medicine system pharmacology database and analysis platform (TCMSP),and the active components of Chinese medicine were screened according to ADME.The main targets of colorectal cancer-related fatigue were obtained through databases such as GeneCards and OMIM.The protein interaction analysis was carried out by using String platform,and the protein-protein interaction network (PPI) was constructed.The MCODE plug-in in CytoScape 3.7.2 was used to mine the potential protein function modules in the network.Metascape platform was used to analyze"drugs-componentstargets "and their biological processes and pathways involved,and then Cytoscape 3.7.2 software was used to construct a network of" Zhenqi Fuzheng Granules-colorectal cancer-related fatigue targets-pathways".Finally,the molecular docking was verified by AutoDock Vina1.1.2.RESULTS: The core active components of Zhenqi Fuzheng granules in the treatment of colorectal cancer-related fatigue were quercetin,luteolin,kaempferol,β-sitosterol and stamen isoflavones,and the core targets were AKT1,JUN,MMP9,VEGFA and so on.The results of molecular docking also proved that the above core components had good binding activity to the core targets.The biological pathway of Zhenqi Fuzheng granules in the treatment of colorectal cancer-related fatigue mainly acts on pathways in cancer,PI3K-AKT signaling pathway and so on.CONCLUSION: This study indicated the multi-component,multi-target and multi-pathway characteristics of Zhenqi Fuzheng granules in the treatment of colorectal cancer-related fatigue,and provided a basis for further research on the mechanism and clinical application of Zhenqi Fuzheng granules in the treatment of colorectal cancer-related fatigue.

Key words: colorectal cancer, cancer-related fatigue, Zhenqi Fuzheng granules, network pharmacology, quercetin, pathways in cancer

CLC Number:

R285.5

CHENG Yanye, XI Wanwan, MAO Xueyang, WEI Tianyi, HU Hairui, LI Zhigang. A network pharmacologymolecular docking study on mechanisms of Zhenqi Fuzheng granules on colorectal cancerrelated fatigue[J]. Carcinogenesis, Teratogenesis & Mutagenesis, 2022, 34(5): 335-343.

References

[1] SUNG H, FERLAY J, SIEGEL R L, et al. Global cancer statistics 2020:GLOBOCAN estimates of incidence and mortality worldwide for 36 cancers in 185 countries[J]. CA Cancer J Clin, 2021, 71(3):209-249.
[2] 卢志承,陈世梁,符志龙,等.混合甲醛固定液固定大肠癌淋巴结标本的最佳免疫组化效果研究[J].现代生物医学进展, 2019, 19(12):2379-2382.
[3] 谢晓冬,张潇宇.癌因性疲乏最新进展:NCCN (2018版)癌因性疲乏指南解读[J].中国肿瘤临床, 2018, 45(16):817-820.
[4] 《中成药治疗优势病种临床应用指南》标准化项目组.中成药治疗癌因性疲乏临床应用指南(2020年)[J].中国中西医结合杂志, 2021, 41(5):534-541.
[5] GUO W, HUANG J H, WANG N, et al. Integrating network pharmacology and pharmacological evaluation for deciphering the action mechanism of herbal formula Zuojin pill in suppressing hepatocellular carcinoma[J]. Front Pharmacol, 2019, 10:1185.
[6] HSIN K Y, GHOSH S, KITANO H. Combining machine learning systems and multiple docking simulation packages to improve docking prediction reliability for network pharmacology[J]. PLoS One, 2013, 8(12):e83922.
[7] FABI A, BHARGAVA R, FATIGONI S, et al. Cancer-related fatigue:ESMO Clinical Practice Guidelines for diagnosis and treatment[J]. Ann Oncol, 2020, 31(6):713-723.
[8] 胡梦奕,叶循雯,周文伟.癌因性疲乏及其治疗相关研究进展[J].新中医, 2020, 52(16):21-26.
[9] 吴晓琴,夏海鸥,孔振芳,等.手术对大肠癌病人癌因性疲乏的影响[J].全科护理, 2016, 14(27):2895-2898.
[10] 谢春荣,林尤恩,王晓芬.大肠癌化疗患者癌因性疲乏及其影响因素探讨[J].中国现代药物应用, 2016, 10(5):76-77.
[11] 戴瑜婷,张雪燕,王艺璇,等.黄芪的现代研究进展及其质量标志物的预测分析[J].中国中药杂志, 2022, 47(7):1754-1764.
[12] 刘美红,邹峥嵘.女贞子化学成分、药理作用及药动学研究进展[J].热带亚热带植物学报, 2022, 30(3):446-460.
[13] 张殿宝,郭艳珍,张宪芬.贞芪扶正颗粒治疗大肠癌术后癌因性疲乏临床研究[J].中医学报, 2017, 32(4):513-516.
[14] NOWE E, STÖBEL-RICHTER Y, SENDER A, et al. Cancerrelated fatigue in adolescents and young adults:a systematic review of the literature[J]. Crit Rev Oncol, 2017, 118:63-69.
[15] TEZERJI S, NAZARI ROBATI F, ABDOLAZIMI H, et al. Quercetin's effects on colon cancer cells apoptosis and proliferation in a rat model of disease[J]. Clin Nutr ESPEN, 2022, 48:441-445.
[16] JANG C H, MOON N, OH J, et al. Adverse effect of luteolin on the anticancer ability of oxaliplatin in HCT116 human colorectal carcinoma cells[J]. FASEB J, 2019, 33(S1):lb602.
[17] CHOI J B, KIM J H, LEE H, et al. Reactive oxygen species and p53 mediated activation of p38 and caspases is critically involved in kaempferol induced apoptosis in colorectal cancer cells[J]. J Agric Food Chem, 2018, 66(38):9960-9967.
[18] 李通.毛蕊异黄酮对结直肠癌细胞株HCT116增殖凋亡的影响及机制的研究[D].南宁:广西医科大学, 2016.
[19] HERON-MILHAVET L, KHOUYA N, FERNANDEZ A, et al. Akt1 and Akt2:differentiating the aktion[J]. Histol Histopathol, 2011, 26(5):651-662.
[20] SERRA R W, FANG M G, PARK S M, et al. A KRAS-directed transcriptional silencing pathway that mediates the CpG island methylator phenotype[J]. eLife, 2014, 3:e02313.
[21] 孟玮琦.基于肠道菌群调控的贞芪扶正颗粒抑制结直肠肿瘤生长的研究[D].长春:吉林大学, 2022.
[22] MCLEAN J B, MOYLAN J S, ANDRADE F H. Mitochondria dysfunction in lung cancer-induced muscle wasting in C2C12 myotubes[J]. Front Physiol, 2014, 5:503.
[23] SRIDHAR S, BOTBOL Y, MACIAN F, et al. Autophagy and disease:always two sides to a problem[J]. J Pathol, 2012, 226(2):255-273.
[24] ZUO Q, WU R Y, XIAO X, et al. The dietary flavone luteolin epigenetically activates the Nrf2 pathway and blocks cell transformation in human colorectal cancer HCT116 cells[J]. J Cell Biochem, 2018, 119(11):9573-9582.
[25] 初秋博,窦博,逯家辉.贞芪扶正颗粒抗疲劳及抗氧化作用研究[C]//第八届泛环渤海生物化学与分子生物学会2018年学术交流会论文集.天津, 2018:48.
[26] GRIVENNIKOV S I, WANG K P, MUCIDA D, et al. Adenomalinked barrier defects and microbial products drive IL-23/IL-17-mediated tumour growth[J]. Nature, 2012, 491(7423):254-258.
[27] 黄晓蒂,梁子成,田莎,等.肝癌术后癌因性疲乏的发病机理及诊疗现状[J].中医肿瘤学杂志, 2020, 2(1):14-19.
[28] 赵鹏,雷晓梅.癌因性疲乏病因研究进展[J].现代肿瘤医学, 2013, 21(4):894-898.
[29] 王磊,杨宇.癌症相关性疲劳的病理生理学研究现状[J].中华老年多器官疾病杂志, 2020, 19(1):74-76.
[30] QI J M, YU J T, LI Y T, et al. Alternating consumption of β-glucan and quercetin reduces mortality in mice with colorectal cancer[J]. Food Sci Nutr, 2019, 7(10):3273-3285.
[31] LIAO P C, LAI M H, HSU K P, et al. Identification of β-sitosterol as in vitro anti-inflammatory constituent in Moringa oleifera[J]. J Agric Food Chem, 2018, 66(41):10748-10759.
[32] AUGOFF K, HRYNIEWICZ-JANKOWSKA A, TABOLA R, et al. MMP9:a tough target for targeted therapy for cancer[J]. Cancers:Basel, 2022, 14(7):1847.
[33] LANDI A, BROADHURST D, VERNON S D, et al. Reductions in circulating levels of IL-16, IL-7 and VEGF-A in myalgic encephalomyelitis/chronic fatigue syndrome[J]. Cytokine, 2016, 78:27-36.
[34] AMIRANI E, HALLAJZADEH J, ASEMI Z, et al. Effects of chitosan and oligochitosans on the phosphatidylinositol 3-kinase-AKT pathway in cancer therapy[J]. Int J Biol Macromol, 2020, 164:456-467.
[35] ZHUANG C L, MAO X Y, LIU S, et al. Ginsenoside Rb1 improves postoperative fatigue syndrome by reducing skeletal muscle oxidative stress through activation of the PI3K/Akt/Nrf2 pathway in aged rats[J]. Eur J Pharmacol, 2014, 740:480-487.

A network pharmacologymolecular docking study on mechanisms of Zhenqi Fuzheng granules on colorectal cancerrelated fatigue

PDF (PC)

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Recommended Articles

Metrics

Comments

[1]	CHEN Dingxiong, ZHU Yiqing, SHI Jianhong, CAI Yan, HAO Jiajie, WANG Mingrong, LIANG Jianwei, ZHANG Yu. DNAJB6b enhanced invasion and migration abilities of colorectal cancer cells by activating the AKT pathway [J]. Carcinogenesis, Teratogenesis & Mutagenesis, 2022, 34(3): 178-183.
[2]	DUAN Huijuan, SUN Zhaogang, HAO Weidong, WEI Xuetao, CHU Hongqian. Effects of four chemicals on the expression of oxidative stress-related genes in HaCaT cells [J]. Carcinogenesis, Teratogenesis & Mutagenesis, 2022, 34(3): 192-199,205.
[3]	YU Yuehua, LIANG Huanxi, XIN Yumeng, SUN Zhenxiao. Investigations on anti-gastric cancer effects of licorice and dried ginger decoction [J]. Carcinogenesis, Teratogenesis & Mutagenesis, 2022, 34(3): 219-226.
[4]	LIANG Feng, ZHANG Wei, LI Fei, WANG Shengjie, DU Yujing, ZHANG Yingchun. Expressions of lncRNA CASC9 in colorectal cancer and its relationship with clinical prognosis [J]. Carcinogenesis, Teratogenesis & Mutagenesis, 2022, 34(2): 110-113.
[5]	XIN Yumeng, LIANG Huanxi, YU Yuehua, SUN Zhenxiao. Network pharmacology and molecular docking mechanisms of licorice and dried ginger decoction against breast cancers [J]. Carcinogenesis, Teratogenesis & Mutagenesis, 2022, 34(1): 7-13.
[6]	GAO Xiaobin, WU Xueliang, WANG Shengjie, SUN Guangyuan, WANG Wenjing, LIANG Feng, ZHAO Yifeng, LIU Zhenxian, ZHANG Yingchun. Expression of TRIM59 and its correlations with clinicopathological features in colorectal cancers [J]. Carcinogenesis, Teratogenesis & Mutagenesis, 2021, 33(6): 446-450.
[7]	LI Bo, LI Gairui, ZHAO Wei, PENG Xiaolin, ZHAO Dan, PENG Ji. Evaluation of sample preservation solution for fecal DNA detection [J]. Carcinogenesis, Teratogenesis & Mutagenesis, 2021, 33(4): 312-316.
[8]	CHEN Tingyu, CHEN Dayin, XIE Jinlu, GAO Xiren, LU Chunfeng. Role of the Nrf2/ARE signaling pathway on quercetin-inhibition of INH-induced mitochondrial oxidative damage in hepatocytes [J]. Carcinogenesis, Teratogenesis & Mutagenesis, 2021, 33(3): 208-212,217.
[9]	CHEN Tingyu, CHEN Dayin, SHEN Hong, FU Xuyan, LU Chunfeng. Protective effects of quercetin on isoniazid-induced hepatotoxicity in vitro [J]. Carcinogenesis, Teratogenesis & Mutagenesis, 2021, 33(1): 12-16.
[10]	YANG Xiuyuan, PAN Yuelong. Expression of CD10 protein in colorectal carcinomas and its clinical significance [J]. Carcinogenesis, Teratogenesis & Mutagenesis, 2020, 32(5): 344-349.
[11]	ZHU Yiqing, ZHANG Tongtong, ZHENG Junwen, HAO Jiajie, CAI Yan, WANG Mingrong, LIANG Jianwei, ZHANG Yu. Expression status of p-mTOR and its prognostic implication in colorectal cancer [J]. Carcinogenesis, Teratogenesis & Mutagenesis, 2020, 32(3): 161-165.
[12]	MA Xiaobiao, ZHANG Qi, PAN Dingguo. Association between rs4143815 polymorphism in the B7-H1 gene and risk of colorectal cancer [J]. Carcinogenesis, Teratogenesis & Mutagenesis, 2019, 31(6): 440-443,448.
[13]	CHEN Tingyu, WANG Dongwei, ZHANG Jinbo, WANG Wei, WANG Jingtao, SHENG Yanliang, LU Chunfeng. Involvement of the ROS/Caspase-3 signaling pathway in isoniazid-induced apoptosis in L-02 cells and the protective effect of quercetin [J]. Carcinogenesis, Teratogenesis & Mutagenesis, 2019, 31(1): 53-57,68.
[14]	LIU Tingting, LIANG Jianwei, YU Jing, CHANG Chen, HAO Jiajie, CAI Yan, ZHOU Zhixiang, WANG Mingrong, ZHANG Tongtong, ZHANG Yu. Significance in expression of KIAA1522 in colorectal cancer [J]. Carcinogenesis, Teratogenesis & Mutagenesis, 2017, 29(2): 87-90,95.
[15]	CHEN Tingyu, SUN Jie, YANG Yu, ZHU Qiushuang, MIAO Zhi, ZHONG Tangwu, LU Chunfeng. The role of reactive oxygen species in isoniazid-induced DNA damage in L-02 cells and the protective effect of quercetin [J]. Carcinogenesis, Teratogenesis & Mutagenesis, 2016, 28(6): 472-476.