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通过生物信息学和分子对接来解读黄素在治疗非小细胞肺癌中的潜在标和药理机制

Jie Li^1,2, Zhen Zhang³, Junchang Zhao⁴

¹Department of Pharmacy, West China Second University Hospital, Sichuan University, Chengdu, China.

Brazilian journal of medical and biological research = Revista brasileira de pesquisas medicas e biologicas

|September 11, 2024

概括

黄素通过向多个途径,显示出抑制非小细胞肺癌 (NSCLC) 的前景. 这项研究确定了关键的分子标,并证实了黄素.

科学领域:

在瘤学瘤学.
药理学药理学是指药理学的学科.
生物信息学是一种生物信息学.

背景情况:

非小细胞肺癌 (NSCLC) 仍然是癌症死亡的主要原因.
黄是一种来自黄的化合物,表现出潜在的抗癌特性.
在NSCLC中黄素的精确机制和点需要进一步阐明.

研究的目的:

通过综合网络药理学,生物信息学和实验验验证来研究黄素对抗NSCLC的分子标和机制.
为在NSCLC研究中提供潜在的黄素组合疗法提供见解.

主要方法:

使用数据库 (HIT2.0,STD,CTD,DisGeNET) 预测了黄素-NSCLC的目标.
进行了蛋白质-蛋白质相互作用 (PPI) 网络,基因本体学 (GO),基因和基因组的京都百科全书 (KEGG) 分析.
分子对接和实时定量PCR (RT-qPCR) 用于实验验证.

主要成果:

确定了黄素和NSCLC之间的67个共同目标.
黄素对NSCLC的作用涉及关键的癌症途径,包括PI3K-AKT,Foxo,MAPK和HIF-1信号传递.
通过PPI网络确定的主要目标包括CASP3,CTNNB1,JUN,IL6,MAPK3,HIF1A,STAT3,AKT1,TP53,CCND1,VEGFA和EGFR.
在体外实验证实黄素可以降低NSCLC细胞中CCND1,CASP3,HIF1A,IL-6,MAPK3,STAT3,AKT1和TP53的表达.

结论:

黄素通过调节多个信号通路和与众多基因标相互作用,证明了NSCLC的治疗潜力.
这些发现支持黄素作为在NSCLC治疗策略中进行临床前和临床研究的候选者.

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