PDF(3132 KB)
维生素C和甘草酸联合防治新型冠状病毒感染的作用机制研究
郭永梅, 徐蕊
PDF(3132 KB)
PDF(3132 KB)
维生素C和甘草酸联合防治新型冠状病毒感染的作用机制研究
Study on the mechanism of vitamin C and glycyrrhizin acid in co-treatment of COVID-19
基于网络药理学技术,探索维生素C(VC)和甘草酸(GA)联合防治新型冠状病毒感染(COVID-19)的作用机制.通过中药系统药理学数据库与分析平台(TCMSP)、SuperPred、SEA Search Server(SEA)、DrugBank、Comparative Toxicogenomics Database(CTD)和SwissTargetPrediction数据库综合相关文献获得VC和GA功能靶标,以及Genecards等数据库获取COVID-19治疗靶点;构建“药物-疾病-靶点”网络,并进行基因本体论(GO)富集分析、京都基因与基因组百科全书(KEGG)通路分析和蛋白互作网络分析(PPI);运用Autodock Vina软件进行分子对接.筛选出VC功能靶标667个、GA功能靶标154个、COVID-19靶点1 586个,VC与GA共有45个靶标与COVID-19致病靶点相关.关键靶点包括ALB、MAPK3、EGFR、IL2、MAPK1和CTLA4等.GO分析显示靶点富集于肽基丝氨酸磷酸化、蛋白结合等生物过程,KEGG分析提示靶点主要作用于5-羟色胺能突触通路.分子对接表明,VC和GA与SARS-CoV-2 3CL水解酶、ACE2等靶点具有较强结合能力.研究表明,VC和GA可能通过调节免疫系统的激活,在COVID-19预防和治疗中发挥协同作用.
Utilizing network pharmacology technology, this study investigated the mechanism of vitamin C (VC) and glycyrrhizic acid (GA) in prevention and treatment of COVID-19. The functional targets of VC and GA were obtained through databases from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP), SuperPred, SEA Search Server (SEA), DrugBank, Comparative Toxicogenomics Database (CTD), and SwissTargetPrediction. The therapeutic targets for COVID-19 were obtained from databases such as GeneCards. A “drug-disease-target” network was constructed, followed by Gene Ontology (GO) enrichment analysis, Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis, and protein-protein interaction (PPI) network analysis. Molecular docking simulations were performed using Autodock Vina software. A total of 667 functional targets for VC, 154 functional targets for GA, and 1,586 therapeutic targets for COVID-19 were identified. There were 45 overlapping targets between VC and GA that are relevant to the pathogenic mechanisms of COVID-19. Key targets included ALB, MAPK3, EGFR, IL2, MAPK1, and CTLA4. GO analysis revealed that these targets were enriched in biological processes such as peptidyl serine phosphorylation and protein binding. KEGG analysis indicated that the targets primarily acted on pathways like the 5-hydroxytryptamine (serotonin) synaptic pathway. Molecular docking results demonstrated that both VC and GA exhibited strong binding affinities with critical targets such as SARS-CoV-2 3CL protease and ACE2. This study suggests that VC and GA may exert synergistic effects in the prevention and treatment of COVID-19 by modulating immune system activation.
新型冠状病毒感染 / 维生素C / 甘草酸 / 网络药理学 / 作用机制
COVID-19 / vitamin C / glycyrrhizin / network pharmacology / mechanism of action
R285
| 1 |
翟萌, 姜惠芬. 新冠病毒肺炎COVID-19的传播途径及预防和防护[J]. 基因组学与应用生物学, 2020, 39(10):4895-4598.
|
| 2 |
陈丹龙, 杨芳, 罗志英, 等. 全球抗新型冠状病毒药物研发现状和瓶颈[J]. 中国药理学通报, 2020, 36(4):59-69.
|
| 3 |
|
| 4 |
|
| 5 |
ANG A,
|
| 6 |
CARR, A C,
|
| 7 |
|
| 8 |
|
| 9 |
|
| 10 |
|
| 11 |
|
| 12 |
|
| 13 |
|
| 14 |
国家卫健委, 国家中医药管理局办公室. 新型冠状病毒感染的肺炎诊疗方案(试行第五版)[J].江苏中医药,2020,52(2):95-96.
|
| 15 |
庄延双, 蔡宝昌, 张自力. 网络药理学在中药研究中的应用进展[J]. 南京中医药大学学报, 2021, 37(1):156-160.
|
| 16 |
罗则华, 杜倩, 奚鑫, 等. 基于网络药理学的淫羊藿抗疲劳作用机制研究[J]. 中草药, 2020, 51(11):2997-3004.
|
| 17 |
申海亮, 杜海霞, 周惠芬, 等. 基于网络药理学与分子对接探讨冠心舒通胶囊治疗心力衰竭的作用机制[J]. 中药新药与临床药理, 2022, 33(8):1093-1101.
|
| 18 |
程速远, 刘志磊, 郭舒杨, 等. 新型冠状病毒重组疫苗早期研发药学关注要点[J]. 中国生物制品学杂志, 2021, 34(4):499-504.
|
| 19 |
|
| 20 |
|
| 21 |
|
| 22 |
|
| 23 |
|
| 24 |
|
/
| 〈 |
|
〉 |