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基于网络毒理学和分子对接,探索尼古丁在人类慢性伤口上的机制

Genyu Guo^1,2, Yinmei Xu¹, Hao Meng^1,2

¹Chinese PLA Medical School, Beijing, China.

The international journal of lower extremity wounds

|November 14, 2025

概括

尼古丁通过破坏炎症反应和修复途径,损害慢性伤口愈合. 这项研究揭示了尼古丁.

科学领域:

药理学药理学是指药理学的学科.
毒理学毒理学毒理学
生物信息学是一种生物信息学.

背景情况:

慢性伤口无法正常愈合,往往会出现感染和复发的挑战.
众所周知,烟草和电子烟中的尼古丁通过多种机制阻碍伤口愈合.
尼古丁在伤口愈合中的精确的多目标,多途径毒理机制仍然不清楚.

研究的目的:

通过网络毒理学和分子对接,阐明尼古丁在慢性伤口愈合中的毒理机制.
在慢性伤口的背景下,确定尼古丁暴露影响的关键分子标和途径.

主要方法:

利用网络毒理学从数据库 (PubChem,GeneCards,OMIM) 中识别尼古丁和慢性伤口基因之间的共同目标.
使用CytoHubba.ba构建了一个蛋白质-蛋白质相互作用网络以识别核心标 (TNF,IL6,IL1B).
通过分子对接进行了基因本体学 (GO) 和KEGG通路丰富分析,并通过分子对接验证了尼古丁标结合亲缘关系.

主要成果:

确定了160个常见的目标,其中TNF,IL6和IL1B是核心目标.
丰富性分析强调了参与炎症反应以及PI3K-AKT和AGE-RAGE信号通路.
分子对接证实了尼古丁与TNF (-5.6 kcal/mol) 和IL6 (-5.0 kcal/mol) 之间强烈的结合亲和力.

结论:

尼古丁通过调节关键炎症因子 (TNF,IL6),抑制PI3K-AKT修复通路,并激活AGE-RAGE通路来破坏伤口愈合.
这些行为破坏了伤口微环境的平衡,阻碍了慢性伤口恢复.
提供基于网络的了解尼古丁在伤口愈合中的毒性,支持戒烟以改善患者的治疗结果.

关键词:

慢性伤口慢性伤口网络毒理学网络毒理学尼古丁是一种尼古丁.

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