整合网络毒理学,机器学习和分子动力学,探索特里克洛桑诱导的急性心肌梗塞分子网络
Qi Zhang1, Siwei Zou2, Ziyao Yang3
1General Hospital of Ningxia Medical University, School of Public Health, Ningxia Medical University, Yinchuan 750004, China.
International journal of molecular sciences
|March 14, 2026
概括
克洛桑 (TCS) 暴露增加了急性心肌梗塞 (AMI) 风险,通过对心脏细胞中的PTGS2进行上调. 抑制PTGS2可能会防止TCS诱导的心脏损伤.
科学领域:
- 心血管毒理学心血管毒理学
- 分子毒理学分子毒理学
- 生物化学 生物化学
背景情况:
- 克洛桑 (TCS) 暴露与急性心肌梗塞 (AMI) 的风险增加有关.
- 关联TCS暴露与AMI的精确分子机制在很大程度上是未知的.
- 了解这些途径对于减轻心血管风险至关重要.
研究的目的:
- 阐明TCS暴露导致心肌细胞损伤的分子机制.
- 确定参与TCS诱导的心血管损伤的关键分子标.
- 探索潜在的治疗策略,以减轻TCS相关的心脏损伤.
主要方法:
- 综合网络毒理学,机器学习,分子模拟 (对接和MD) 和体外测试.
- 进行了差异基因表达分析和加权基因共同表达网络分析 (WGCNA).
- 利用心肌细胞模型来评估TCS和PTGS2抑制的影响.
主要成果:
- 确定了8个核心基因调节器,包括PTGS2,参与TCS毒性.
- 通过分子模拟证实了TCS与PTGS2的高亲和度,稳定的结合.
- 证明TCS在心肌细胞中对PTGS2和心脏损伤标志物cTnI进行上调.
- 表明PTGS2抑制剂赛莱科西布可以逆转TCS诱导的心肌细胞损伤.
结论:
- PTGS2是Triclosan诱导的心肌细胞损伤的关键调解者.
- 由TCS引起的心脏损伤涉及PTGS2.2的上调.
- 针对PTGS2为TCS相关心血管疾病提供了潜在的治疗策略.
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