Icariside II in NSCLC and COVID-19: Network pharmacology and molecular docking study

IF 3.2 4区医学 Q2 BIOTECHNOLOGY & APPLIED MICROBIOLOGY Journal of Gene Medicine Pub Date : 2024-07-05 DOI:10.1002/jgm.3710

Qing Kong, Huahe Zhu, Jingcheng Dong, Baojun Liu

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Abstract

Background

Patients with non-small cell lung cancer (NSCLC) are susceptible to coronavirus disease-2019 (COVID-19), but current treatments are limited. Icariside II (IS), a flavonoid compound derived from the plant epimedin, showed anti-cancer,anti-inflammation and immunoregulation effects. The present study aimed to evaluate the possible effect and underlying mechanisms of IS on NSCLC patients with COVID-19 (NSCLC/COVID-19).

Methods

NSCLC/COVID-19 targets were defined as the common targets of NSCLC (collected from The Cancer Genome Atlas database) and COVID-19 targets (collected from disease database of Genecards, OMIM, and NCBI). The correlations of NSCLC/COVID-19 targets and survival rates in patients with NSCLC were analyzed using the survival R package. Prognostic analyses were performed using univariate and multivariate Cox proportional hazards regression models. Furthermore, the targets in IS treatment of NSCLC/COVID-19 were defined as the overlapping targets of IS (predicted from drug database of TMSCP, HERBs, SwissTarget Prediction) and NSCLC/COVID-19 targets. Gene Ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analysis of these treatment targets were performed aiming to understand the biological process, cellular component, molecular function and signaling pathway. The hub targets were analyzed by a protein–protein interaction network and the binding capacity with IS was characterized by molecular docking.

Results

The hub targets for IS in the treatment of NSCLC/COVID-19 includes F2, SELE, MMP1, MMP2, AGTR1 and AGTR2, and the molecular docking results showed that the above target proteins had a good binding degree to IS. Network pharmacology showed that IS might affect the leucocytes migration, inflammation response and active oxygen species metabolic process, as well as regulate the interleukin-17, tumor necrosus factor and hypoxia-inducible factor-1 signaling pathway in NSCLC/COVID-19.

Conclusions

IS may enhance the therapeutic efficacy of current clinical anti-inflammatory and anti-cancer therapy to benefit patients with NSCLC combined with COVID-19.

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淫羊藿苷 II 在 NSCLC 和 COVID-19 中的作用：网络药理学和分子对接研究

背景：非小细胞肺癌（NSCLC）患者易感染冠状病毒病-2019（COVID-19），但目前的治疗方法有限。淫羊藿苷 II（IS）是从植物淫羊藿中提取的一种黄酮类化合物，具有抗癌、抗炎和免疫调节作用。本研究旨在评估IS对COVID-19（NSCLC/COVID-19）NSCLC患者可能产生的影响及其潜在机制：方法：NSCLC/COVID-19靶点定义为NSCLC常见靶点（从癌症基因组图谱数据库中收集）和COVID-19靶点（从Genecards、OMIM和NCBI的疾病数据库中收集）。使用生存 R 软件包分析了 NSCLC/COVID-19 靶点与 NSCLC 患者生存率的相关性。使用单变量和多变量考克斯比例危险回归模型进行了预后分析。此外，IS治疗NSCLC/COVID-19的靶点被定义为IS的重叠靶点（通过TMSCP、HERBs、SwissTarget Prediction药物数据库预测）和NSCLC/COVID-19靶点。对这些治疗靶点进行了基因本体和京都基因组百科全书的富集分析，旨在了解其生物学过程、细胞成分、分子功能和信号通路。通过蛋白质-蛋白质相互作用网络分析了这些中心靶标，并通过分子对接鉴定了它们与IS的结合能力：结果：IS治疗NSCLC/COVID-19的中心靶点包括F2、SELE、MMP1、MMP2、AGTR1和AGTR2。网络药理学研究表明，IS可影响NSCLC/COVID-19的白细胞迁移、炎症反应和活性氧代谢过程，并调控白细胞介素-17、肿瘤坏死因子和缺氧诱导因子-1的信号通路：IS可提高目前临床抗炎和抗癌疗法的疗效，使NSCLC/COVID-19患者受益。

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来源期刊

Journal of Gene Medicine 医学-生物工程与应用微生物

CiteScore

6.40

自引率

0.00%

发文量

审稿时长

6-12 weeks

期刊介绍： The aims and scope of The Journal of Gene Medicine include cutting-edge science of gene transfer and its applications in gene and cell therapy, genome editing with precision nucleases, epigenetic modifications of host genome by small molecules, siRNA, microRNA and other noncoding RNAs as therapeutic gene-modulating agents or targets, biomarkers for precision medicine, and gene-based prognostic/diagnostic studies. Key areas of interest are the design of novel synthetic and viral vectors, novel therapeutic nucleic acids such as mRNA, modified microRNAs and siRNAs, antagomirs, aptamers, antisense and exon-skipping agents, refined genome editing tools using nucleic acid /protein combinations, physically or biologically targeted delivery and gene modulation, ex vivo or in vivo pharmacological studies including animal models, and human clinical trials. Papers presenting research into the mechanisms underlying transfer and action of gene medicines, the application of the new technologies for stem cell modification or nucleic acid based vaccines, the identification of new genetic or epigenetic variations as biomarkers to direct precision medicine, and the preclinical/clinical development of gene/expression signatures indicative of diagnosis or predictive of prognosis are also encouraged.