基于网络药理学和分子对接的功能性食品对抗炎症性肠病的迪奥斯基宁的洞察力
Min Cai1,2, Yangchen Mao1,2, Wenjing Gao1,2
1School of Biological and Chemical Engineering, Zhejiang University of Science and Technology, Hangzhou, 310023, China.
Heliyon
|September 26, 2024
概括
来自迪奥斯科雷亚植物的化合物迪奥斯基宁在治疗炎症性肠病 (IBD) 中表现有前途. 网络药理学确定了关键目标,表明了涉及IBD治疗的氨酸激酶通路的潜在机制.
科学领域:
- 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.
- 胃肠病学 胃肠病学
背景情况:
- 炎症性肠病 (IBD) 是一个全球性的健康问题,在亚洲的发病率越来越高.
- 迪奥斯基宁是来自迪奥斯科雷亚植物的天然素,在中国传统医学中使用,并显示出IBD治疗的潜力.
- 迪奥斯基宁缓解IBD的精确机制需要进一步研究.
研究的目的:
- 通过网络药理学和生物信息学来研究迪奥斯基宁对IBD的治疗标和机制.
- 为了确定关键的分子标和信号通路,涉及到diosgenin对IBD的作用.
主要方法:
- 网络药理学分析以确定迪奥斯基宁和IBD之间的重叠目标.
- 系统生物信息学分析,包括基因本体学 (GO) 和基因和基因组的京都百科全书 (KEGG) 路径丰富.
- 进行分子对接模拟,以评估迪奥斯基宁对已识别的目标的结合潜力.
主要成果:
- 确定了71个迪奥斯基宁和IBD之间的重叠目标,包括SRC,TNF和STAT3.
- 丰富分析显示,氨酸激酶参与了激素激酶信号通路和膜受体.
- 潜在的机制包括EGFR氨酸激酶抑制剂耐药性,Ras-MAPK和PI3K-Akt通路.
- 分子对接证实了迪奥斯基宁对SRC,EGFR,FGFR1和VEGFR等氨酸激酶的结合潜力.
结论:
- 迪奥斯基宁显示出作为一种营养药物,用于治疗炎症性肠病 (IBD) 的显著潜力.
- 这项研究阐明了涉及氨酸激酶信号通路的潜在机制.
- 迪奥斯基宁直接结合关键的氨酸激酶,支持其治疗IBD的前景.
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