基于网络药理学探究小青龙汤治疗新型冠状病毒肺炎的作用机制

doi:10.3976/j.issn.1002-4026.2023.03.002

Abstract

Abstract:

This research aims to study the mechanism of Xiaoqinglong Decoction in the treatment of coronavirus disease 2019 (COVID-19) based on network pharmacology. The traditional Chinese medicine systems pharmacology database and analysis platform (TCMSP) online tool was used to screen the active ingredients of Xiaoqinglong Decoction. PubChem, SwissTargetPrediction, and TCMSP databases were used to obtain the potential targets of eight traditional Chinese medicines. OMIM, DisGeNET, and GeneCards databases were used to obtain COVID-19 and delta variant of COVID-19 related targets. The intersecting targets of eight traditional Chinese medicines and Xiaoqinglong decoction and COVID-19 were screened using online tool Venny 2.1, and a Venn diagram was prepared. The Cytoscape 3.7.2 software was used to construct Xiaoqinglong Decoction-components-(COVID-19)-target network. After using STRING database to collect data, protein-protein interaction network was built online. Metascape database was used for gene ontology (GO) and Kyoto encyclopedia of genes and genomes (KEGG) enrichment analysis, and the GO and KEGG enrichment analysis maps were plotted using Weishengxin online plotting tool. Molecular docking was performed using the AutoDockTools 1.5.6 software. A total of 169 active ingredients, 1 363 targets of Xiaoqinglong Decoction, and 292 intersecting targets of drugs and diseases were screened. A total of 2 393 biological process, 168 cell components, 264 molecular functions were obtained via GO enrichment analysis. A total of 225 pathways were obtained via KEGG. Molecular docking showed that the core components of Xiaoqinglong Decoction screened in this study combined well with the COVID-19 related targets. Xiaoqinglong Decoction could treat COVID-19 through TNF, AKT1, GAPDH, IL-6, ALB, TP53, IL-1β, VEGFA, STAT3, EGFR, and other targets and participate in MAPK signaling pathway, PI3K-Akt signaling pathway, AGE-RAGE signaling pathway in diabetes complications, and other pathways.

Key words: Xiaoqinglong Decoction, COVID-19, network pharmacology, action mechanism

CLC Number:

R285

ZHU Jie, WANG Zheng, LIANG Yanni. The mechanism of Xiaoqinglong Decoction in treatment of COVID-19 based on network pharmacology[J].Shandong Science, 2023, 36(3): 10-17.

Figures/Tables 3

References 43

[1]	张迪, 王文雅, 许宗颖, 等. 从经方方元解读小青龙汤的组方内涵[J]. 吉林中医药, 2021, 41(8): 1094-1097. DOI:10.13463/j.cnki.jlzyy.2021.08.030. doi: 10.13463/j.cnki.jlzyy.2021.08.030
[2]	曾丽珍. 小青龙汤治疗慢阻肺急性加重期的临床运用[J]. 世界最新医学信息文摘, 2019, 19(26): 219. DOI:10.19613/j.cnki.1671-3141.2019.26.127. doi: 10.19613/j.cnki.1671-3141.2019.26.127
[3]	卫志颖, 刘竹云. 小青龙汤加减治疗儿童肺系疾病验案3则[J]. 江苏中医药, 2019, 51(8): 61-62. DOI: 10.3969/j.issn.1672-397X.2019.08.021. doi: 10.3969/j.issn.1672-397X.2019.08.021
[4]	卓超林, 王辉, 李常, 等. 变通小青龙汤治疗支气管哮喘(虚哮证)的临床研究[J]. 中国中医急症, 2019, 28(8): 1414-1416. DOI: 10.3969/j.issn.1004-745X.2019.08.026. doi: 10.3969/j.issn.1004-745X.2019.08.026
[5]	王鑫, 刘巧平, 闫占峰, 等. 基于网络药理学探究小青龙汤治疗过敏性鼻炎的作用机制[J]. 山东大学耳鼻喉眼学报, 2021, 35(5): 46-55. DOI:10.6040/j.issn.1673-3770.0.2021.134. doi: 10.6040/j.issn.1673-3770.0.2021.134
[6]	陈锐, 孙阿茹, 陈娟, 等. 920例新型冠状病毒肺炎患者舌象特征与中医证候的关系研究[J]. 长春中医药大学学报, 2022, 38(3): 295-300. DOI:10.13463/j.cnki.cczyy.2022.03.014. doi: 10.13463/j.cnki.cczyy.2022.03.014
[7]	谢炎烽, 阮永队, 刘晓茹, 等. 中医药治疗8例重型新型冠状病毒肺炎经验[J]. 实用中医内科杂志, 2020, 34(8): 1-3. DOI:10.13729/j.issn.1671-7813.z20200188. doi: 10.13729/j.issn.1671-7813.z20200188
[8]	天津防治新型冠状病毒肺炎中医专家组. 境外输入新型冠状病毒奥密克戎变异株感染患者的中医证候特征[J]. 天津中医药, 2022, 39(2): 142-146. DOI:10.11656/j.issn.1672-1519.2022.02.03. doi: 10.11656/j.issn.1672-1519.2022.02.03
[9]	杨道文, 李得民, 晁恩祥, 等. 关于新型冠状病毒肺炎中医病因病机的思考[J]. 中医杂志, 2020, 61(7): 557-560. DOI:10.13288/j.11-2166/r.2020.07.002. doi: 10.13288/j.11-2166/r.2020.07.002
[10]	张伟, 陈凤. 德尔塔变异毒株致新型冠状病毒肺炎中医分析[J]. 山东中医杂志, 2022, 41(1): 1-5. DOI:10.16295/j.cnki.0257-358x.2022.01.001. doi: 10.16295/j.cnki.0257-358x.2022.01.001
[11]	王凤霞, 张云, 李晓彬, 等. 小青龙汤用于新冠肺炎患者救治可行性分析[J]. 陕西中医药大学学报, 2021, 44(4): 11-14. DOI:10.13424/j.cnki.jsctcm.2021.04.003. doi: 10.13424/j.cnki.jsctcm.2021.04.003
[12]	杨春燕, 江炳源. 小青龙汤联合西医对重症肺炎患者肺功能和炎症因子的影响[J]. 实用中西医结合临床, 2019, 19(4): 69-70. DOI:10.13638/j.issn.1671-4040.2019.04.034. doi: 10.13638/j.issn.1671-4040.2019.04.034
[13]	张高峰, 陈洁. 加减小青龙汤治疗老年重症肺炎临床疗效及对免疫功能和血清IFN-γ、IL-1β、PCT的影响[J]. 四川中医, 2018, 36(10): 63-66.
[14]	许晶, 石凤芹, 杜可心, 等. 基于网络药理学探讨“半枝莲-白花蛇舌草”抗乳腺癌的作用机制[J]. 中国中药杂志, 2020, 45(18): 4448-4454. DOI:10.19540/j.cnki.cjcmm.20200302.502. doi: 10.19540/j.cnki.cjcmm.20200302.502
[15]	孙尧, 王艺璇, 张洪铭, 等. 基于网络药理学和分子对接技术研究四逆胃痛颗粒治疗萎缩性胃炎的作用机制[J]. 特产研究, 2022, 44(2): 64-70. DOI:10.16720/j.cnki.tcyj.2022.030. doi: 10.16720/j.cnki.tcyj.2022.030
[16]	庞晓军, 黎东旺, 刘春芳. 中药有效成分对人肺泡Ⅱ型肺泡细胞ACE2作用的研究[J]. 中国医院药学杂志, 2022, 42(13):1321-1325.DOI:10.13286/j.1001-5213.2022.13.06. doi: 10.13286/j.1001-5213.2022.13.06
[17]	SHIN D, MUKHERJEE R, GREWE D, et al. Papain-like protease regulates SARS-CoV-2 viral spread and innate immunity[J]. Nature, 2020, 587(7835): 657-662. DOI:10.1038/s41586-020-2601-5. doi: 10.1038/s41586-020-2601-5
[18]	徐森楠, 庄莉, 翟园园, 等. 基于网络药理学研究二至丸防治骨质疏松症的物质基础与作用机制[J]. 中国药学杂志, 2018, 53(22): 1913-1920. DOI: 10.11669/cpj.2018.22.007. doi: 10.11669/cpj.2018.22.007
[19]	林子琦, 焦莹莹, 文证, 等. 小青龙汤治疗肺系疾病的现代临床应用进展[J]. 实用中医内科杂志, 2021, 35(2): 30-33. DOI:10.13729/j.issn.1671-7813.Z20200444. doi: 10.13729/j.issn.1671-7813.Z20200444
[20]	杨颖, 王芸芸, 蒋琦辰. 槲皮素药理作用的研究进展[J]. 特种经济动植物, 2020, 23(5): 24-28.
[21]	司丽君, 王雪, 王林林, 等. 槲皮素的抗炎免疫及部分机制研究[J]. 中国医药导报, 2021, 18(27): 26-29.
[22]	曲一帆. 山柰酚缓解小鼠溃疡性结肠炎的肠道微生态机理研究[D]. 呼和浩特: 内蒙古医科大学, 2021.
[23]	杨嫄, 吴波, 陶国水, 等. 化湿败毒方治疗新型冠状病毒肺炎的网络药理学探究[J]. 山东中医药大学学报, 2022, 46(2): 218-226. DOI:10.16294/j.cnki.1007-659x.2022.02.015. doi: 10.16294/j.cnki.1007-659x.2022.02.015
[24]	陈元堃, 曾奥, 罗振辉, 等. β-谷甾醇药理作用研究进展[J]. 广东药科大学学报, 2021, 37(1): 148-153. DOI:10.16809/j.cnki.2096-3653.2020040801. doi: 10.16809/j.cnki.2096-3653.2020040801
[25]	张喜平, 田华, 程琪辉. 黄芩苷的药理作用研究现状[J]. 中国药理学通报, 2003, 19(11): 1212-1215. DOI: 10.3321/j.issn:1001-1978.2003.11.003. doi: 10.3321/j.issn:1001-1978.2003.11.003
[26]	蒙艳丽, 徐佳莹, 王晓溪, 等. 黄芩苷抗肺炎支原体研究[J]. 中华中医药学刊, 2020, 38(2): 158-161. DOI:10.13193/j.issn.1673-7717.2020.02.039. doi: 10.13193/j.issn.1673-7717.2020.02.039
[27]	王力彬. 儿茶-黄芩配伍体内效应物质基础研究[D]. 杨凌: 西北农林科技大学, 2018.
[28]	ALTAVILLA D, SQUADRITO F, BITTO A, et al. Flavocoxid, a dual inhibitor of cyclooxygenase and 5-lipoxygenase, blunts pro-inflammatory phenotype activation in endotoxin-stimulated macrophages[J]. British Journal of Pharmacology, 2009, 157(8): 1410-1418. DOI:10.1111/j.1476-5381.2009.00322.x. doi: 10.1111/j.1476-5381.2009.00322.x pmid: 19681869
[29]	张家宁. 芍药苷对耐碳青霉烯类肺炎克雷伯菌的抗菌机制及其纳米乳制备[D]. 西安: 陕西科技大学, 2021.
[30]	秦燕, 史晓娟, 梁卓文. ATF4靶向AKT1对膝关节软骨细胞凋亡及软骨退变的影响[J]. 解剖学研究, 2022, 44(1): 18-23. DOI:10.20021/j.cnki.1671-0770.2022.01.04. doi: 10.20021/j.cnki.1671-0770.2022.01.04
[31]	李文. 靶向GAPDH小分子抑制剂的发现与机制研究[D]. 烟台: 烟台大学, 2021.
[32]	EZRA A, RABINOVICH-NIKITIN I, RABINOVICH-TOIDMAN P, et al. Multifunctional effect of human serum albumin reduces Alzheimer's disease related pathologies in the 3xTg mouse model[J]. Journal of Alzheimer's Disease, 2016, 50(1): 175-188. DOI:10.3233/JAD-150694. doi: 10.3233/JAD-150694 pmid: 26682687
[33]	崔莹. 人血白蛋白对自发性脑出血患者保护作用的临床研究[D]. 大连: 大连医科大学, 2021.
[34]	彭哲. VEGFA参与神经损伤诱导的神经病理性疼痛的机制[D]. 广州: 广州医科大学, 2021.
[35]	范改焕, 禹香菊, 赵宪文. 肺炎支原体对支气管上皮细胞黏蛋白分泌的影响[J]. 新乡医学院学报, 2018, 35(11): 975-980. DOI:10.7683/xxyxyxb.2018.11.007. doi: 10.7683/xxyxyxb.2018.11.007
[36]	YANG J, NIE J, MA X L, et al. Targeting PI3K in cancer: Mechanisms and advances in clinical trials[J]. Molecular Cancer, 2019, 18(1): 26. DOI:10.1186/s12943-019-0954-x. doi: 10.1186/s12943-019-0954-x pmid: 30782187
[37]	李燕梅, 郝金平, 郭永林, 等. 克洛己新干混悬剂通过PI3K/AKT信号通路改善铜绿假单胞菌诱发的小鼠急性肺炎[J]. 中国老年学杂志, 2021, 41(20): 4497-4501. DOI: 10.3969/j.issn.1005-9202.2021.20.046. doi: 10.3969/j.issn.1005-9202.2021.20.046
[38]	BASILE M S, CAVALLI E, MCCUBREY J, et al. The PI3K/Akt/mTOR pathway: A potential pharmacological target in COVID-19[J]. Drug Discovery Today, 2022, 27(3): 848-856.DOI:10.1016/j.drudis.2021.11.002. doi: 10.1016/j.drudis.2021.11.002
[39]	PELZL L, SINGH A, FUNK J, et al. Antibody-mediated procoagulant platelet formation in COVID-19 is AKT dependent[J]. Journal of Thrombosis and Haemostasis, 2022, 20(2): 387-398. DOI:10.1111/jth.15587. doi: 10.1111/jth.15587
[40]	HUANG LL, SHI Y, GONG B, et al. Dynamic blood single-cell immune responses in patients with COVID-19[J]. Signal Transduction and Targeted Therapy, 2021, 6: 110. DOI:10.1038/s41392-021-00526-2. doi: 10.1038/s41392-021-00526-2 pmid: 33677468
[41]	PAN B Y, FANG S B, ZHANG J, et al. Chinese herbal compounds against SARS-CoV-2:Puerarin and quercetin impair the binding of viral S-protein to ACE2 receptor[J]. Computational and Structural Biotechnology Journal, 2020, 18: 3518-3527. DOI:10.1016/j.csbj.2020.11.010. doi: 10.1016/j.csbj.2020.11.010
[42]	MHATRE S, GURAV N, SHAH M, et al. Entry-inhibitory role of catechins against SARS-CoV-2 and its UK variant[J]. Computers in Biology and Medicine, 2021, 135: 104560.DOI:10.1016/j.compbiomed.2021.104560. doi: 10.1016/j.compbiomed.2021.104560
[43]	LIU J B, BODNAR B H, MENG F Z, et al. Epigallocatechin gallate from green tea effectively blocks infection of SARS-CoV-2 and new variants by inhibiting spike binding to ACE2 receptor[J]. Cell & Bioscience, 2021, 11(1): 168. DOI:10.1186/s13578-021-00680-8. doi: 10.1186/s13578-021-00680-8

活性成分	核心靶点		活性成分	核心靶点
活性成分	ACE2	PLP	活性成分	ACE2	PLP
槲皮素	-7.9	-8.9	甘草黄酮	-6.6	-8.0
山柰酚	-8.1	-9.1	光甘草宁	-6.1	-7.7
β-谷甾醇	-9.2	-8.3	半甘草异黄酮B	-6.4	-6.5
儿茶素	-7.8	-9.1	丁子香萜	-9.4	-7.0
黄芩苷	-9.8	-9.4	豆甾醇	-7.9	-6.5
芍药苷	-8.5	-7.9	紫杉醇	-4.7	-5.7
甘草酚	-6.8	-7.7	柚皮素	-5.9	-5.8
松柏素	-6.3	-5.1

The mechanism of Xiaoqinglong Decoction in treatment of COVID-19 based on network pharmacology

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