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黄连解毒汤对新型冠状病毒肺炎相关急性肾损伤的潜在保护作用:基于网络的药理学和分子对接研究

Potential protective effects of Huanglian Jiedu Decoction against COVID-19-associated acute kidney injury: A network-based pharmacological and molecular docking study.

作者信息

Wu Weichu, Zhang Yonghai, Liu Guoyuan, Chi Zepai, Zhang Aiping, Miao Shuying, Lin Chengchuang, Xu Qingchun, Zhang Yuanfeng

机构信息

Department of Urology, Shantou Central Hospital, Shantou, 515031, PR China.

School of Integrative Medicine, Gansu University of Traditional Chinese Medicine, Lanzhou, 730000, PR China.

出版信息

Open Med (Wars). 2023 Jul 6;18(1):20230746. doi: 10.1515/med-2023-0746. eCollection 2023.

Abstract

Corona virus disease 2019 (COVID-19) is prone to induce multiple organ damage. The kidney is one of the target organs of SARS-CoV-2, which is susceptible to inducing acute kidney injury (AKI). Huanglian Jiedu Decoction (HLJDD) is one of the recommended prescriptions for COVID-19 with severe complications. We used network pharmacology and molecular docking to explore the therapeutic and protective effects of HLJDD on COVID-19-associated AKI. Potential targets related to "HLJDD," "COVID-19," and "Acute Kidney Injury/Acute Renal Failure" were identified from several databases. A protein-protein interaction (PPI) network was constructed and screened the core targets according to the degree value. The target genes were then enriched using gene ontology and Kyoto Encyclopedia of Genes and Genomes. The bioactive components were docked with the core targets. A total of 65 active compounds, 85 common targets for diseases and drugs were obtained; PPI network analysis showed that the core protein mainly involved JUN, RELA, and AKT1; functional analysis showed that these target genes were mainly involved in lipid and atherosclerosis signaling pathway and IL-17 signal pathway. The results of molecular docking showed that JUN, RELA, and AKT1 had good binding activity with the effective chemical components of HLJDD. In conclusion, HLJDD can be used as a potential therapeutic drug for COVID-19-associated AKI.

摘要

2019冠状病毒病(COVID-19)易于引发多器官损伤。肾脏是严重急性呼吸综合征冠状病毒2(SARS-CoV-2)的靶器官之一,易引发急性肾损伤(AKI)。黄连解毒汤(HLJDD)是治疗伴有严重并发症的COVID-19的推荐方剂之一。我们运用网络药理学和分子对接技术来探究HLJDD对COVID-19相关性AKI的治疗和保护作用。从多个数据库中确定了与“HLJDD”“COVID-19”及“急性肾损伤/急性肾衰竭”相关的潜在靶点。构建了蛋白质-蛋白质相互作用(PPI)网络,并根据度值筛选核心靶点。随后利用基因本体论和京都基因与基因组百科全书对靶基因进行富集分析。将生物活性成分与核心靶点进行对接。共获得65种活性化合物、85个疾病与药物的共同靶点;PPI网络分析表明核心蛋白主要涉及JUN、RELA和AKT1;功能分析表明这些靶基因主要参与脂质与动脉粥样硬化信号通路以及白细胞介素-17信号通路。分子对接结果显示JUN、RELA和AKT1与HLJDD的有效化学成分具有良好的结合活性。综上所述,HLJDD可作为COVID-19相关性AKI的潜在治疗药物。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6df4/10390755/ca1ae5652834/j_med-2023-0746-fig001.jpg

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