研究动态
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Icariside II 在 NSCLC 和 COVID-19 中的应用:网络药理学和分子对接研究。

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

发表日期:2024 Jul
作者: Qing Kong, Huahe Zhu, Jingcheng Dong, Baojun Liu
来源: CLINICAL PHARMACOLOGY & THERAPEUTICS

摘要:

非小细胞肺癌 (NSCLC) 患者容易感染 2019 年冠状病毒病 (COVID-19),但目前的治疗方法有限。 Icariside II (IS) 是一种从植物淫羊藿中提取的黄酮类化合物,具有抗癌、抗炎和免疫调节作用。本研究旨在评估IS对患有COVID-19的NSCLC患者(NSCLC/COVID-19)的可能作用和潜在机制。NSCLC/COVID-19靶点被​​定义为NSCLC的共同靶点(收集自癌症基因组图谱)数据库)和 COVID-19 目标(从 Genecards、OMIM 和 NCBI 疾病数据库收集)。使用survival R包分析NSCLC/COVID-19目标与NSCLC患者生存率的相关性。使用单变量和多变量 Cox 比例风险回归模型进行预后分析。此外,NSCLC/COVID-19的IS治疗靶点被定义为IS的重叠靶点(根据TMSCP、HERBs、SwissTarget Prediction的药物数据库预测)和NSCLC/COVID-19靶点。对这些治疗靶标进行基因本体论和京都基因和基因组百科全书富集分析,旨在了解生物过程、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枢纽靶点,并通过分子对接表征与IS的结合能力。IS治疗NSCLC/COVID-19的枢纽靶点包括F2、SELE、MMP1、MMP2、AGTR1和AGTR2 ,分子对接结果表明上述目标蛋白与IS具有良好的结合程度。网络药理学表明,IS可能影响NSCLC/COVID-19中的白细胞迁移、炎症反应和活性氧代谢过程,并调节白细胞介素17、肿瘤坏死因子和缺氧诱导因子1信号通路。IS可能增强当前临床抗炎抗癌治疗的疗效,使 NSCLC 合并 COVID-19 患者受益。© 2024 John Wiley
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).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.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.IS may enhance the therapeutic efficacy of current clinical anti-inflammatory and anti-cancer therapy to benefit patients with NSCLC combined with COVID-19.© 2024 John Wiley & Sons Ltd.