Exploring the Effect of Gomisin A on Non-Small Cell Lung Cancer With Network Pharmacology, Molecular Docking, In Vitro and In Vivo Assays

IF 3.2 4区 医学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY
Mei Liu, Kai Yang, Huibing Qiu
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引用次数: 0

Abstract

Gomisin A is an active ingredient of Schisandra chinensis. Pre-clinical studies suggest Gomisin A has good anti-cancer activities against a variety of cancers, but its mechanism of action in non-small cell lung cancer (NSCLC) is unclear. This study aims to explore the potential mechanism of Gomisin A in treating NSCLC. The SwissTargetPrediction, CTD, HERB and PharmMapper databases were used to collect related targets of Gomisin A. NSCLC-related genes were obtained using the GEO, CTD, DisGeNET, OMIM, GeneCards, NCBI, and PharmGKB databases. The central targets and potential mechanisms of Gomisin A against NSCLC were screened using network pharmacology and molecular docking. Finally, the therapeutic activity of Gomisin A on NSCLC was verified by experiments. A total of 161 potential targets of Gomisin A against NSCLC were identified. TNF, AKT1, STAT3, and IL6 were identified as the central targets of Gomisin A. The binding energy of Gomisin A and the central targets was less than −5 kcal/mol. Gomisin A could inhibit NSCLC cell viability, migration and invasion and induce cell cycle arrest and apoptosis. Gomisin A also inhibited in vivo metastasis of NSCLC cells. In addition, Gomisin A could also reduce the expression level of the central targets and inhibit the PI3K-Akt signaling pathway. In summary, Gomisin A may be a candidate drug for the treatment of NSCLC, and TNF, AKT1, STAT3, and IL6 are potential targets for Gomisin A in NSCLC treatment, and its therapeutic mechanism may be related to the PI3K-Akt signaling pathway.

通过网络药理学、分子对接、体外和体内试验探索五味子苷 A 对非小细胞肺癌的影响。
五味子苷 A 是五味子的一种活性成分。临床前研究表明,五味子苷 A 对多种癌症具有良好的抗癌活性,但其在非小细胞肺癌(NSCLC)中的作用机制尚不清楚。本研究旨在探索五味子苷 A 治疗 NSCLC 的潜在机制。本研究利用SwissTargetPrediction、CTD、HERB和PharmMapper数据库收集五味子素A的相关靶点,并利用GEO、CTD、DisGeNET、OMIM、GeneCards、NCBI和PharmGKB数据库获得NSCLC相关基因。利用网络药理学和分子对接技术筛选了 Gomisin A 对 NSCLC 的中心靶点和潜在机制。最后,通过实验验证了五味子苷 A 对 NSCLC 的治疗活性。共鉴定出 161 个 Gomisin A 对 NSCLC 的潜在靶点。Gomisin A与这些靶点的结合能小于-5 kcal/mol。Gomisin A能抑制NSCLC细胞的活力、迁移和侵袭,并诱导细胞周期停滞和凋亡。大黄素 A 还能抑制 NSCLC 细胞的体内转移。此外,大黄素 A 还能降低中心靶点的表达水平,抑制 PI3K-Akt 信号通路。综上所述,Gomisin A可能是治疗NSCLC的候选药物,TNF、AKT1、STAT3和IL6是Gomisin A治疗NSCLC的潜在靶点,其治疗机制可能与PI3K-Akt信号通路有关。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Chemical Biology & Drug Design
Chemical Biology & Drug Design 医学-生化与分子生物学
CiteScore
5.10
自引率
3.30%
发文量
164
审稿时长
4.4 months
期刊介绍: Chemical Biology & Drug Design is a peer-reviewed scientific journal that is dedicated to the advancement of innovative science, technology and medicine with a focus on the multidisciplinary fields of chemical biology and drug design. It is the aim of Chemical Biology & Drug Design to capture significant research and drug discovery that highlights new concepts, insight and new findings within the scope of chemical biology and drug design.
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