研究动态
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基于网络药理学和分子对接的方法,研究考菲酚对非小细胞肺癌的作用。

To explore the effect of kaempferol on non-small cell lung cancer based on network pharmacology and molecular docking.

发表日期:2023
作者: Junli Zhang, Xiangqi Liu, Guoying Zhang, Junling Wu, Zhongfang Liu, Chuanguo Liu, Hui Wang, Shuxin Miao, Lei Deng, Kuan Cao, Miwei Shang, Qingjun Zhu, Peng Sun
来源: Frontiers in Pharmacology

摘要:

非小细胞肺癌(NSCLC)是肺癌的常见病理类型,严重影响人类生活、健康、心理和寿命。目前,临床常用的化疗、靶向治疗等方法容易产生耐药性和毒副作用。传统中药的天然提取物因其毒副作用小而受到肿瘤治疗领域的广泛关注。山奈酚是一种天然植物中的黄酮类物质,已被证明在许多癌症如肺癌中具有抗癌作用,但具体分子机制尚不清楚。因此,在体外实验的基础上,我们运用网络药理学和分子对接方法研究山奈酚在非小细胞肺癌治疗中的潜在机制。山奈酚的靶标来自公共数据库(PharmMapper、Swiss target prediction),非小细胞肺癌的靶标来自疾病数据库(Genecards和TTD)。同时,我们结合GEO数据库收集了基因芯片GSE32863和GSE75037,获取差异基因。通过绘制文氏图,得到山奈酚与NSCLC的交集靶标。通过富集分析,确定PI3K/AKT为可能的关键信号通路。通过拓扑分析和分子对接,选择PIK3R1、AKT1、EGFR和IGF1R作为关键靶标,通过分析关键靶标的基因和蛋白表达进一步验证了这四个关键基因。这些发现为进一步研究山奈酚治疗NSCLC提供了方向。 版权所有© 2023 张、刘、张、吴、刘、刘、王、苗、邓、曹、商、朱和孙。
Non-small cell lung cancer (NSCLC) is a common pathological type of lung cancer, which has a serious impact on human life, health, psychology and life. At present, chemotherapy, targeted therapy and other methods commonly used in clinic are prone to drug resistance and toxic side effects. Natural extracts of traditional Chinese medicine (TCM) have attracted wide attention in cancer treatment because of their small toxic and side effects. Kaempferol is a flavonoid from natural plants, which has been proved to have anticancer properties in many cancers such as lung cancer, but the exact molecular mechanism is still unclear. Therefore, on the basis of in vitro experiments, we used network pharmacology and molecular docking methods to study the potential mechanism of kaempferol in the treatment of non-small cell lung cancer. The target of kaempferol was obtained from the public database (PharmMapper, Swiss target prediction), and the target of non-small cell lung cancer was obtained from the disease database (Genecards and TTD). At the same time, we collected gene chips GSE32863 and GSE75037 in conjunction with GEO database to obtain differential genes. By drawing Venn diagram, we get the intersection target of kaempferol and NSCLC. Through enrichment analysis, PI3K/AKT is identified as the possible key signal pathway. PIK3R1, AKT1, EGFR and IGF1R were selected as key targets by topological analysis and molecular docking, and the four key genes were further verified by analyzing the gene and protein expression of key targets. These findings provide a direction for further research of kaempferol in the treatment of NSCLC.Copyright © 2023 Zhang, Liu, Zhang, Wu, Liu, Liu, Wang, Miao, Deng, Cao, Shang, Zhu and Sun.