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喜炎平注射液治疗新型冠状病毒肺炎(COVID-19)的药理机制:基于网络药理学策略

The Pharmacological Mechanism of Xiyanping Injection for the Treatment of Novel Coronavirus Pneumonia (COVID-19): Based on Network Pharmacology Strategy.

作者信息

Xia Liang-Jing, Zhang Liang-Ming, Yang Kun, Chen Tong, Ye Xian-Wen, Yan Zi-Jun

机构信息

Department of Pharmacy, Panzhihua Central Hospital, Panzhihua 617067, China.

School of Pharmacy and Pharmaceutical Sciences (Institute of Pharmaceutical Sciences), Shandong First Medical University (Shandong Academy of Medical Sciences), Jinan 250117, China.

出版信息

Evid Based Complement Alternat Med. 2022 Jul 8;2022:9152201. doi: 10.1155/2022/9152201. eCollection 2022.

Abstract

PURPOSE

The possible mechanism of Xiyanping injection treatment COVID-19 is discussed through the network pharmacology.

METHODS

Obtaining the chemical structure of Xiyanping injection through the patent application and obtaining control compounds I, II, III, IV, V, Yanhuning injection (VI, VII), Chuanhuning injection (VIII, IX), 10 compounds were analyzed by D3Targets-2019-nCoV. The human anti-COVID-19 gene in COVID-19 DisGeNET was intersected with the CTD Andrographolide target gene and then combined with D3Targets-2019-nCoV, resulting in 93 genes, using the Venny 2.1 platform. The PPI network was constructed by the String platform and Cytoscape 3.8.2 platform. The GO, KEGG, and tissue of the target were analyzed using the Metascape platform and DAVID platform. The gene expression in the respiratory system was analyzed using the ePlant platform. The CB-Dock is used for the docking verification and degree values of the first 20 genes.

RESULTS

Finally, 1599 GO and 291 KEGG results were obtained. GO is mostly associated with the cell stress response to chemicals, the cell response to oxidative stress, and the cell response to reactive oxygen species. In total, 218 KEGG pathway concentrations were related to infection and other diseases and 73 signaling pathways mostly related to inflammation and immune pathways, such as TNF signaling pathway and MAPK signaling pathway. The molecular docking results show that Xiyanping injection, compound III, has a good docking relationship with 20 target proteins such as HSP90AA1. Tissue has 22 genes that are pooled in the lungs.

CONCLUSION

Xiyanping injection may inhibit the release of various inflammatory factors by inhibiting intracellular pathways such as MAPK and TNF. It acts on protein targets such as HSP90AA1 and plays a potential therapeutic role in COVID-19. Thus, compound III may be treated as a potential new drug for the treatment of COVID-19 and the Xiyanping injection may treat patients with COVID-19 infection.

摘要

目的

通过网络药理学探讨喜炎平注射液治疗新型冠状病毒肺炎(COVID-19)的可能机制。

方法

通过专利申请获取喜炎平注射液的化学结构,并获取对照化合物I、II、III、IV、V、炎琥宁注射液(VI、VII)、穿琥宁注射液(VIII、IX),利用D3Targets-2019-nCoV分析10种化合物。将新型冠状病毒肺炎疾病基因数据库(COVID-19 DisGeNET)中的人类抗COVID-19基因与中药系统药理学数据库(CTD)穿心莲内酯靶基因进行交集分析,然后结合D3Targets-2019-nCoV,利用Venny 2.1平台得到93个基因。通过String平台和Cytoscape 3.8.2平台构建蛋白质-蛋白质相互作用(PPI)网络。利用Metascape平台和DAVID平台对靶标的基因本体(GO)、京都基因与基因组百科全书(KEGG)以及组织进行分析。利用ePlant平台分析呼吸系统中的基因表达。使用CB-Dock对前20个基因进行对接验证和度值分析。

结果

最终获得1599个GO结果和291个KEGG结果。GO主要与细胞对化学物质的应激反应、细胞对氧化应激的反应以及细胞对活性氧的反应相关。共有218个KEGG通路浓度与感染及其他疾病相关,73个信号通路主要与炎症和免疫通路相关,如肿瘤坏死因子(TNF)信号通路和丝裂原活化蛋白激酶(MAPK)信号通路。分子对接结果表明,喜炎平注射液、化合物III与热休克蛋白90α家族成员1(HSP90AA1)等20种靶蛋白具有良好的对接关系。组织中有22个基因集中在肺部。

结论

喜炎平注射液可能通过抑制MAPK和TNF等细胞内途径来抑制多种炎症因子的释放。它作用于HSP90AA1等蛋白质靶点,在COVID-19中发挥潜在的治疗作用。因此,化合物III可被视为治疗COVID-19的潜在新药,喜炎平注射液可治疗COVID-19感染患者。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0b14/9271007/11f40d754c9e/ECAM2022-9152201.001.jpg

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