来自植物的卡尔科因因抑制人类和老鼠的11β-基类固醇脱酶2: 3D-定量结构-活性关系 (3D-QSAR) 和合分析导致毒性
Hang Lin1, Ming Su1, Chao Wen1
1Department of Anesthesiology and Perioperative Medicine, The Second Affiliated Hospital and Yuying Children's Hospital of Wenzhou Medical University, Key Laboratory of Pediatric Anesthesiology, Ministry of Education, Key Laboratory of Anesthesiology of Zhejiang Province, Wenzhou Medical University, 325027, China.
概括
许多制剂抑制了人类和老鼠的11β-基类固醇脱酶2 (11β-HSD2),可能导致副作用. 抑制依赖于结构和物种,受分子性质的影响.
科学领域:
- 药理学 药理学是指药理学的学科.
- 药用化学 医学化学
- 生物化学 生物化学
背景情况:
- 甘衍生品的石膏具有不同的药理活性.
- 石英对11β-基固醇脱酶2 (11β-HSD2) 的影响和潜在的副作用尚未得到充分了解.
研究的目的:
- 为了研究11个石对人类和老鼠11β-HSD2.2.的抑制作用.
- 使用3D-QSAR.分析结构-活动关系.
主要方法:
- 使用微粒的酶抑制测定.
- 三维定量结构-活动关系 (3D-QSAR) 建模.
- 抑制动力学的分析 (非竞争性/混合).
主要成果:
- 七种石膏显著抑制了人类的11β-HSD2 (IC50:15.6238.33μM).
- 在大鼠中,有8种制了11β-HSD2 (IC50:6.8272.26μM).
- 抑制是物种依赖的,脂性和分子量是关键因素.
结论:
- 几种甲基可以抑制人类和老鼠的11β-HSD2,这表明可能会产生不良影响.
- 对11β-HSD2的哈尔孔抑制取决于化学结构和物种.
- 疏水性区域,异质群和键受体对于抑制至关重要.
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