生物信息学方法来识别Danlou抗动脉样硬化片的分子标:一项机器学习药理学研究
Li Wang1, Miaomiao Zhang2,3, Hongli Wang2,3
1Department of Traditional Chinese Medicine, The Eighth Affiliated Hospital of Sun Yat-Sen University, 3025 Shennan Road, Shenzhen, Guangdong Province, 518033, China.
Naunyn-Schmiedeberg's archives of pharmacology
|February 9, 2026
概括
这项研究确定了HAS2作为Danlou Tablet (DLT) 治疗动脉样硬化症 (AS) 的新目标. 在DLT中的β-固醇与HAS2接触,为AS提供了新的治疗见解.
科学领域:
- 综合计算生物学 综合计算生物学
- 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:
- 动脉样硬化 (AS) 是一个重大的健康挑战.
- 丹卢药片 (DLT) 是一种具有潜在抗AS作用的传统药物.
- 了解DLT的分子机制对于其治疗应用至关重要.
研究的目的:
- 为了确定DLT用于AS治疗的新分子标.
- 为了产生DLT抗动脉样硬化作用的机制性假设.
- 使用集成计算框架探索DLT的治疗潜力.
主要方法:
- 网络药理和生物信息学分析以确定DLT组件和AS目标.
- 机器学习用于优先考虑枢纽目标.
- 转录组分析 (scRNA-seq) 用于分析免疫路径.
- 分子对接,动力学模拟和CETSA用于目标验证.
主要成果:
- 确定了138个DLT生物活性成分和230个与AS重叠的目标.
- 优先考虑的主要目标包括HSF1,HAS2,PTGS1,NFATC1和CD40LG.
- 通过分子对接和CETSA验证了Beta-sitosterol-HAS2和Quercetin-PTGS1的相互作用.
- HAS2表达与炎症标志物 (IL6,TNF) 有显著的相关性.
结论:
- 该研究建议HAS2作为AS的新型治疗点,由DLT的β-固醇调节.
- 这项研究为DLT的抗动脉样硬化作用提供了分子基础.
- 这些发现为未来的实验验证和药物开发提供了潜在的目标环境.
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