通过网络药理学和分子对接,探索Coptidis Rhizoma-ginger对结肠癌的活性成分和机制
Ting Zeng1, Caijin Ling2, Yong Liang3
1Institute of Systems Engineering and Collaborative Laboratory for Intelligent Science and Systems, Macau University of Science and Technology, Taipa, Macao, China.
概括
科普蒂迪斯草根-生草本对通过向多个基因和途径,有望在预防结肠癌方面发挥作用. 这项研究揭示了其开发新抗结肠癌药物的潜在分子机制.
科学领域:
- 综合性瘤学是一种综合性瘤学.
- 传统中国医药 传统中国医药
- 计算药理学是一种计算药理学.
背景情况:
- 结肠癌是一个日益严重的全球健康问题.
- 传统中国医学,特别是Coptidis Rhizoma-生草药对,可能具有抗结肠癌的特性.
研究的目的:
- 为了阐明Coptidis Rhizoma-生草药对在结肠癌治疗中的分子机制.
- 整合网络药理学和分子对接以进行全面分析.
主要方法:
- 从TCM数据库收集的成分目标数据和从GeneCards/OMIM收集的疾病目标.
- 构建的蛋白质-蛋白质相互作用网络和化合物目标疾病路径图.
- 进行了基因本体学 (GO) 和基因和基因组的京都百科全书 (KEGG) 途径分析,随后进行了分子对接.
主要成果:
- 确定了229个草药对和结肠癌之间的交叉目标.
- 发现了像STAT3,Akt1,SRC和HSP90AA1这样的关键点,这些点参与了关键的细胞过程.
- 凯格分析强调PI3K-Akt和HIF-1信号通路对于草药对的影响至关重要.
结论:
- 科普蒂迪斯草根-生草本对通过多目标和多路径调制,证明了对结肠癌的预防作用.
- 这些发现支持进一步研究这对草药对新型结肠癌药物开发的治疗潜力.
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