开发COX-2-向光探针用于癌细胞中的HClO/ONOO-检测:一项综合实验和计算研究
Yonglin Zhang1, Jianxi Liu1, Shengfa Song1
1Collaborative Innovation Center of Advanced Drug Delivery System and Biotech Drugs in Universities of Shandong, Key Laboratory of Molecular Pharmacology and Drug Evaluation, Ministry of Education, School of Pharmacy, Yantai University, Yantai, 264005, PR China.
Analytical and bioanalytical chemistry
|February 13, 2026
概括
新的光探测器S1和S2针对循环氧化酶-2 (COX-2) 和其反应性物种进行早期癌症检测. 这些探针为瘤成像提供高灵敏度和选择性,有助于癌症生物标志物研究.
科学领域:
- 生物医学工程 生物医学工程
- 化学生物学 化学生物学
- 分子成像学分子成像学
背景情况:
- 过度表达循环氧化酶-2 (COX-2) 和反应性物种,如低酸 (HClO) 和过氧酸 (ONOO−) 是瘤微环境中早期癌症诊断的关键指标.
- 开发有针对性的成像剂对于精确的癌症检测和研究至关重要.
研究的目的:
- 设计和合成新的光探针 (S1和S2),用于分别选择性检测和成像HClO和ONOO-,在COX-2过度表达的背景下.
- 通过体外细胞成像和计算分析验证探针的性能.
主要方法:
- 合成了两个光探针 (S1和S2),其中包含用于COX-2向的赛莱科西布配体和纳夫他胺光体.
- 使用光诱导电子转移 (PET) 机制进行光启动检测.
- 在MCF-7癌细胞和HUVEC细胞上进行体外细胞成像实验.
- 使用密度函数理论 (DFT) 计算,分子对接,分子动力学模拟和MM/PBSA计算进行理论验证.
主要成果:
- 探测器S1和S2在检测HClO和ONOO− (R2>0.989) 中表现出极好的线性和灵敏度.
- 在体外研究表明,与正常的HUVEC细胞相比,对COX-2过度表达的MCF-7癌细胞的细胞毒性低,选择性优.
- 计算分析证实了探针与COX-2的稳定和特定结合,具有有利的结合度.
结论:
- 开发的光探测器S1和S2对于成像COX-2-相关反应物种具有高度敏感性和选择性.
- 这些探测器显示出作为研究癌症生物标志物和促进细胞水平早期癌症诊断的工具的巨大潜力.
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