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通过网络药理学和分子对接,探索WuFuYin对高缩痕的潜在机制

Shu-Yang Zhang¹, Song-Xue Guo², Lei-Lei Chen³

¹Department of General Surgery, Shaoxing Hospital of Traditional Chinese Medicine, Shaoxing 312000, Zhejiang Province, China.

World journal of clinical cases

|July 10, 2024

概括

FuYin (WFY) 可以通过向糖原合成酶激酶3β (GSK3B) 和循环素依赖激酶2来治疗高缩性痕 (HTS). 确定了像MOL004941这样的关键化合物用于HTS治疗.

科学领域:

综合性瘤学是一种综合性瘤学.
药理学药理学是指药理学的学科.
皮肤病学皮肤病学

背景情况:

过度缩性痕 (HTS) 是一种影响身体和心理健康的显著纤维扩散性疾病.
对于HTS的WuFuYin (WFY) 的治疗机制在很大程度上仍然未被描述.

研究的目的:

阐明WFY在HTS治疗中的潜在分子机制.
确定与HTS相关的WFY的关键活性化合物和分子标.

主要方法:

利用传统中医药系统药理学数据库和分析平台来识别WFY的活性成分和目标.
从多个数据库 (GeneCards,DisGeNET,NCBI) 中整合了与HTS相关的基因.
执行了基因本体学,基因和基因组京都百科全书 (KEGG) 丰富分析,蛋白质-蛋白质相互作用 (PPI) 网络构建和分子对接.

主要成果:

确定了65个核心基因,将WFY化合物与HTS.链接起来.
通过PPI分析,突出显示了糖原合成酶激酶3β (GSK3B) 和循环素依赖激酶2 (CKD2) 作为枢纽标.
凯格分析表明PI3K-Akt通路中的丰富,GSK3B和8-prenylated eriodictyol显示出高结合亲和力.

结论:

WFY在治疗HTS.中显示出潜在的潜力.
GSK3B和CKD2被确定为HTS治疗中WFY的关键分子标.
特定的WFY化合物,包括MOL004941,MOL004989和MOL004993,对于其治疗效果至关重要.

关键词:

丰富分析是一种丰富分析.过度缩的痕过度缩的痕分子对接是分子对接.网络药理学网络药理学这就是WuFuYin.

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