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目的:通过网络药理学和分子对接分析甘露消毒丹治疗新型冠状病毒肺炎的潜在活性成分及分子作用机制。方法:借助TCMSP和BATMAN-TCM平台检索甘露消毒丹中药的活性化学成分与作用靶点,并与CTD数据库检索的新型冠状病毒肺炎靶点相匹配得到关键靶点,筛选核心靶点通过R软件进行GO和KEGG富集分析,预测中药复方的作用机制。将关键成分集与3CLpro和ACE2进行分子对接。结果:得到138个活性成分,关键靶点53个。GO生物过程1 298个条目、细胞组成59个条目、分子功能62个条目,KEGG通路富集120个条目。分子对接结果发现槲皮素、木犀草素、山奈酚等20个化学成分与ACE2、3CLpro的亲和力高于利巴韦林和氯喹。结论:甘露消毒丹可能通过抗病毒、抑制炎症因子、调节免疫等方面来调控和干预SARS-CoV-2感染,起到整体调控的作用,充分体现了中医药多成分、多靶点、多通路的治疗优势。
Abstract：Objective: To analyze the potential active components and molecular mechanism of Ganlu Xiaodu Micro Pill in the treatment of COVID-19 by network pharmacology and molecular docking. Methods:The active chemical constituents and action targets ofGanlu Xiaodu Micro Pill were retrieved fromTCMSP and BATMAN-TCM platform, and the key targets were selected by matching the results with targets of COVID-19 retrieved fromCTD database. The core targets were selected and analyzed by GO and KEGG enrichment analysis by R software to predict the action mechanism of traditional Chinese medicine compound. The key component sets were docked with 3 CLpro and ACE2. Results:A total of 138 active components and 53 key targets were obtained. There are 1 298 items in GO biological process, 59 items in cell composition, 62 items in molecular function, and 120 items enriched in KEGG pathway. The results of molecular docking showed that the affinity of 20 chemical components such as quercetin, luteolin and kaempferol with ACE2 and 3 CLpro was higher than that of ribavirin and chloroquine. Conclusions:GanluXiaoduMicroPill may regulate and interfere with SARS-CoV-2 infection through antivirus, inhibition of inflammatory factors and regulation of immunity, which fully reflects the advantages of multi-components, multi-targets and multi-pathways of treating COVID-19 with traditional Chinese medicine.
1 赛岱安.新型冠状病毒及新冠肺炎英文名确定[J].中国科技翻译,2020,33(1):55,24,36.
2 世界卫生组织.2019冠状病毒病(COVID-19)疫情[EB/OL].[2020-04-02].https://experience.arcgis.com/experience/685d0ace521648f8a5beeeee1b9125cd.
3 国家卫生健康委员会.关于印发新型冠状病毒肺炎诊疗方案(试行第七版)的通知[EB/OL].[2020-03-04].http://www.nhc.gov.cn/yzygj/s7652m/202003/a31191442e29474b98bfed5579d5af95.shtml.
4 程韶,舒冰,赵东峰,等.基于炎症-氧化应激角度探讨中药对新型冠状病毒肺炎的干预作用[J/OL].世界科学技术-中医药现代化:1-7[2020-04-05].http://kns.cnki.net/kcms/detail/11.5699.R.20200225.1702.008.html.
5 臧明泉,任建琳,张莹瑄,等.中西医防治新型冠状病毒肺炎的研究进展[J/OL].世界科学技术-中医药现代化:1-10[2020-04-05].http://kns.cnki.net/kcms/detail/11.5699.R.20200331.0856.010.html.
6 叶天士.医效秘传·卷一[M].第1版.上海:上海科学技术出版社,1963:26
7 王士雄.温热经纬[M].第1版.北京:学苑出版社,160
8 Benvenuto D,Giovanetti M,Ciccozzi A,et al.The 2019-new coronavirus epidemic:Evidence for virus evolution.[J].J Med Virol,2020,92:455-459.
9 Wrapp D,Wang NS,Corbett KS,et al.Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation[J].Science,2020,367:1260-1263.
10 咸楠星,张哲,李宁,等.基于新型冠状病毒肺炎病因与病机传变规律探讨重症患者从心论治[J].中华中医药学刊,2020,38(4):20-24.
11 Yasuhiro,Shimamoto,Yasunao,et al.Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors[J].Bioorganic & Medicinal Chemistry,2015.
12 郭洁茹,王璐,徐艳娇,等.重症新型冠状病毒肺炎患者抗病毒治疗的药物利用评价:利巴韦林[J].医药导报,2020,39(6):776-780.
13 汪选斌,陆金健.中药药理规范研究的思考[J].世界科学技术-中医药现代化,2019,21(9):1846-1854.
14 闫小妮,田国祥,贺海蓉,等.CTD数据库架构及数据获取查询与提取方法[J].中国循证心血管医学杂志,2019,11(8):905-909.
15 吕建军,屈哲,李波.毒理基因组学在临床前药物致癌性评价中的研究进展[J].中国新药杂志,2010,19(14):1212-1215.
16 Wang M,Cao RY,Zhang,LK,et al.Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro[J].Cell Res,2020,30:269-271.
17 李子真,黄洋,俞海,等.分子对接预测病毒表位的研究进展[J].中国病毒病杂志,2019,9(4):296-302.
18 刘欢颜,赵莉,耿少怡,等.中西医结合对新型冠状病毒肺炎治疗的研究[J].河北中医药学报,2020,35(2):55-60.
19 张维骏,刘润兰,张波.新型冠状病毒肺炎之五运六气解析[J].中华中医药学刊,2020,38(3):10-12.
20 苏云放.甘露消毒丹方源与现代临床应用[J].中成药,1994,(9):41-42.
21 陈灵,柳芳,王晓霞,等.875例新型冠状病毒肺炎中医药治疗的用药规律及药学监护[J/OL].中国实验方剂学杂志:1-12[2020-04-29].https://doi.org/10.13422/j.cnki.syfjx.20201412.
22 陈灵,程志强,柳芳,夏杨,陈永刚.甘露消毒汤治疗131例新型冠状病毒肺炎病例分析[J].中国中药杂志,2020,45(10):2232-2238.
23 艾碧琛,贺又舜.甘露消毒丹抗病毒作用的临床与实验研究现状[J].中华中医药学刊,2013,31(8):1664-1667.
24 毕岩,岳冬辉,高玉伟,等.甘露消毒丹对H1N1流感病毒感染小鼠细胞因子的影响[J].中华中医药杂志,2014,29(12):3950-3953.
25 邹俊驹,吴佳敏,韩云,等.甘露消毒丹对CoxA16小鼠模型的影响[J].中药药理与临床,2017,33(2):13-18.
26 邹华,王颖,秦晓宇,等.木犀草素通过抗氧化应激和抑制COX-2信号通路抑制哮喘幼鼠气道炎症[J].解剖科学进展,2019,25(6):634-636.
27 刘回丽,吴健,黄晓婷.基于PI3K/AKT通路研究槲皮素对柯萨奇病毒B3诱导心肌细胞损伤的保护作用[J/OL].病毒学报:1-8[2020-04-29].https://doi.org/10.13242/j.cnki.bingduxuebao.003709.
28 赵妍.山奈酚对脂多糖诱导小鼠急性肺损伤的保护作用[D].东北农业大学,2013.
29 孙昉昉,李耀辉,刘改霞,等.基于网络药理学探讨葛根芩连汤治疗流行性感冒的分子机制[J/OL].海南医学院学报:1-9[2020-04-30].https://doi.org/10.13210/j.cnki.jhmu.20200429.002.
30 Paola RD,Crisafulli C,Mazzon E,et al.Effect of PD98059,a selective MAPK3/MAPK1 inhibitor,on acute lung injury in mice[J].International Journal of Immunopathology and Pharmacology,2009,22(4):937-950.
31 Strouvalis I,Routsi C,Adamopoulou M,et al.Early increase of VEGF‐A is associated with resolution of ventilator‐associated pneumonia:Clinical and experimental evidence[J].Respirology,2018,23(10):942-949.
32 Wee P,Wang Z.Epidermal growth factor receptor cell proliferation signaling pathways[J].Cancers,2017,9(5):52.
33 凌晓颖,陶嘉磊,孙逊,等.基于网络药理学的连花清瘟方抗冠状病毒的物质基础及机制探讨[J].中草药,2020,51(7):1723-1730.
34 吉米丽汗·司马依,买买提明·努尔买买提,艾尼瓦尔·吾买尔,等.基于网络药理学及分子对接探索金花清感颗粒辅助治疗新型冠状病毒肺炎(COVID-19)活性成分研究[J/OL].中药材:1-10[2020-04-04].http://kns.cnki.net/kcms/detail/44.1286.R.20200323.1926.002.html.
35 王亚洲,何鹏,王丹虹,等.儿童支原体肺炎感染Th17/Treg平衡及IL-6/ STAT3、IL-2/STAT5通路影响[J].中华医院感染学杂志,2020,30(7):1043-1047.
36 Bermejo-Jambrina Marta,Eder Julia,Helgers Leanne C et al.C-Type lectin receptors in antiviral immunity and viral escape.[J].Front Immunol,2018,9:590.doi:10.3389/fimmu.2018.00590.
37 Nikolakopoulou C,Willment JA,Brown GD.C-Type lectin receptors in antifungal immunity[J].Adv Exp Med Biol,2020,1204:1-30.
基本信息:
DOI：10.13210/j.cnki.jhmu.20200611.001
中图分类号:R285
引用信息:
[1]邝玉慧,陈晓琦,赵晴,等.基于网络药理学和分子对接法探讨甘露消毒丹抗新型冠状病毒肺炎的作用机制[J].海南医学院学报,2020,26(16):1201-1208+1213.DOI:10.13210/j.cnki.jhmu.20200611.001.
基金信息:
国家科技重大专项-艾滋病和病毒性肝炎等重大传染病防治(2018ZX10303502); 国家自然基金青年基金(81804063); 中国博士后科学基金面上项目(2019M662500); 河南省中医管理局国家中医临床研究基地科研专项重点项目(2018JDZX110)~~
2020-06-11
2020-06-11
2020-06-11