Exploring active compounds of Da-Yuan-Yin in treatment of COVID-19 based on network pharmacology and molecular docking method;基于网络药理学和分子对接法探寻达原饮治疗新型冠状病毒肺炎（COVID-19）活性化合物的研究

Chinese Traditional and Herbal Drugs

Volumn 51, Issue 4, 2020, Pages 836-844

  Zong, Yang ^a,b,c   Ding, Mei Lin ^d   Jia, Ke Ke ^a   Ma, Shi Tang ^e   Ju, Wen Zheng ^a  

^a AFFILIATED HOSPITAL OF NANJING UNIVERSITY OF CHINESE MEDICINE   (China)

^b NANJING UNIVERSITY OF CHINESE MEDICINE   (China)

^c Suzhou Academy of Wumen Chinese Medicine   (China)

^d SHANGHAI UNIVERSITY OF TRADITIONAL CHINESE MEDICINE   (China)

^e ANHUI SCIENCE AND TECHNOLOGY UNIVERSITY   (China)

Author keywords

Angiotensin converting enzyme II; Baicalin; Da Yuan Yin; Kaempferol; Molecular docking; Network pharmacology; Quercetin; Severe acute respiratory syndrome coronavirus 2 (SARS CoV 2)

Indexed keywords

ANEMARRHENAE RHIZOMA; ANGIOTENSIN CONVERTING ENZYME 2; AR PROTEIN; ARECAE SEMEN; BAICALIN; CHINESE DRUG; DA YUAN YIN; ESR1 PROTEIN; GLYCYRRHIZAE RADIX; HEAT SHOCK PROTEIN 90; HEAT SHOCK PROTEIN 90AA1; INDUCIBLE NITRIC OXIDE SYNTHASE; KAEMPFEROL; PROTEIN; PTGS2 PROTEIN; QUERCETIN; RADIX PAEONIAE ALBA; SCUTELLARIAE RADIX; T LYMPHOCYTE RECEPTOR; TSAOKO FRUCTUS; UNCLASSIFIED DRUG;

ANEMARRHENA; ARECA; ARTICLE; BINDING AFFINITY; CELL COMPOSITION; CHEMICAL COMPOSITION; CHINESE MEDICINE; CLINICAL PHARMACOLOGY; CORONAVIRUS DISEASE 2019; DRUG MECHANISM; GENE ONTOLOGY; GENE TARGETING; GENETIC DATABASE; GLYCYRRHIZA; MAGNOLIA OFFICINALIS; MOLECULAR DOCKING; NON SMALL CELL LUNG CANCER; PAEONIA; SCUTELLARIA; SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS 2; SIGNAL TRANSDUCTION; SMALL CELL LUNG CANCER;

EID: 85082200028     PISSN: 02532670     EISSN: None     Source Type: Journal    
DOI: 10.7501/j.issn.0253-2670.2020.04.002     Document Type: Article

References (27)

1. 欧阳芬, 吴荷玉, 杨 英, 等. 基于武汉新型冠状病毒肺炎快速传播的应对措施 [J]. 全科护理, 2020, 18(3): 1-2.
2. 王 琛, 王 旋. 新型冠状病毒感染的流行, 医院感染及心理预防 [J]. 全科护理, 2020, 18(3): 1-2.
3. 陈嘉源, 施劲松, 丘栋安, 等. 武汉2019冠状病毒基因组的生物信息学分析 [J/OL]. 生物信息学, [2020-01-20]. http://kns.cnki.net/kcms/detail/23.1513.Q. 20200120.0839.002.html.
4. 熊成龙, 蒋露芳, 姜庆五. β-冠状病毒引起人类疾病的流行与控制 [J]. 上海预防医学, 2020, 32(1): 1-12.
5. 鲁京硕. 传染性非典型肺炎后遗症的治疗体会 [J]. 中华中医药杂志, 2007, 22(10): 732-733.
6. 屠燕捷, 方肇勤, 郭永洁, 等. 叶天士生平及其温病学术理论研究30年回溯 [J]. 浙江中医药大学学报, 2014, 38(3): 356-360.
7. 华中科技大学同济医学院附属同济医院救治医疗专家组. 新型冠状病毒感染的肺炎诊疗快速指南(第三版) [J/OL]. 医药导报, [2020-01-30]. http://kns.cnki.net/kcms/detail/42.1293.r.20200130.1803.002.html.
8. 胡 森. 吴又可诊治温疫辨病特色探微 [J]. 中医杂志, 2009, 50(4): 293-295.
9. 李昌勤, 刘瑜新, 康文艺. 达原饮的临床应用概述 [J]. 中成药, 2010, 32(3): 470-473.
10. 王玉光, 齐文升, 马家驹, 等. 新型冠状病毒(2019-nCoV)肺炎中医临床特征与辨证治疗初探 [J]中医杂志, 2020, 61(4): 1-6.
11. Liu J F, Hu A N, Zan J F, et al. Network Pharmacology deciphering mechanisms of volatiles of Wendan Granule for the treatment of Alzheimer's disease [J]. Evid Based Compl Alternat Med, 2019, 2019: 7826769.
12. 宗 阳, 董宏利, 陈 婷, 等. 基于网络药理学黄芩-黄连药对治疗2型糖尿病作用机制探讨 [J]. 中草药, 2019, 50(4):888-894.
13. Niu B, Zhang H, Li C, et al. Network pharmacology study on the active components of Pterocypsela elata and the mechanism of their effect against cerebral ischemia [J]. Drug Des Devel Ther, 2019, 13: 3009-3019.
14. 段爱霞, 陈 晶, 刘宏德, 等. 分子对接方法的应用与发 [J]. 分析科学学报, 2009, 25(4): 473-477.
15. 黄启和, 周福军, 徐 旭, 等. 基于分子对接技术虚拟筛选延胡索抗心肌缺血物质基础研究 [J]. 中草药, 2019, 50(10): 2355-2361.
16. Ru J, Li P, Wang J, et al. TCMSP: A database of systems pharmacology for drug discovery from herbal medicines [J]. J Cheminform, 2014, 6: 13.
17. Ahmed S S, Ramakrishnan V. Systems biological approach of molecular descriptors connectivity: Optimal descriptors for oral bioavailability prediction [J]. PLoS One, 2012, 7(7): e40654.
18. Ursu O, Rayan A, Goldblum A, et al. Understanding drug-likeness [J]. Wires Comput Mol Sci, 2011, 1(5): 760-781.
19. The UniProt Consortium. Uniprot: The universal protein knowledgebase [J]. Nucleic Acids Res, 2017, 45(D1): D158-D169.
20. Trends M, Chalifa-Caspi V, Prilusky J, et al. GeneCards: Integrating information about genes, proteins and diseases [J]. Trends Genet, 1997, doi:10.1016/s0168-9525(97)01103-7.
21. Smoot M E, Ono K, Ruscheinski J, et al. Cytoscape 2.8: New features for data integration and network visualization [J]. Bioinformatics, 2011, 27(3): 431-432.
22. Huang D W, Sherman B T, Lempicki R A. Systematic and integrative analysis of large gene lists using DAVID bioinformatics resources [J]. Nat Protocols, 2009, 4(1): 44-57.
23. Burley S K, Berman H M, Kleywegt G J, et al. Protein Data Bank (PDB): The single global macromolecular structure archive [J]. Methods Mol Biol, 2017, 1607: 627-641.
24. 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): 1914-1920.
25. 戎兆赢, 杨 健, 王玉林, 等. 系统药理学对方剂达原饮的物质基础及作用机制研究 [J]. 中国医院药学杂志, 2019, 39(12): 1227-1233.
26. Holshue M L, DeBolt C, Lindquist S, et al. First Case of 2019 Novel Coronavirus in the United States [J]. N Engl J Med, 2020, doi:10.1056/NEJMoa2001191.
27. Menachery V D, Yount B L, Debbink K, et al. SARS-like cluster of circulating bat coronavirus pose threat for human emergence [J]. Nat Med, 2015, 21(12): 1508-151