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紫外线过器类抑制人类,猪,老鼠和老鼠的11β-基固醇脱酶1:结构-活性关系和合分析

Ting Hao¹, Xin Zhao¹, Zhongyao Ji¹

¹Department of Anesthesiology and Perioperative Medicine, the Second Affiliated Hospital and Yuying Children's Hospital, Wenzhou Medical University, Wenzhou, Zhejiang 325027, China; Key Laboratory of Pediatric Anesthesiology, Ministry of Education and Key Laboratory of Anesthesiology of Zhejiang Province, Wenzhou Medical University; Wenzhou, Zhejiang 325027, China; Key Laboratory of Environment and Male Reproductive Medicine of Wenzhou, Key Laboratory of Structural Malformations in Children of Zhejiang Province, Wenzhou 325000, Zhejiang Province, China.

Comparative biochemistry and physiology. Toxicology & pharmacology : CBP

|March 22, 2024

概括

类化学物质 (BPs) 在人类,猪,老鼠和小鼠物种中抑制了11β-基类固醇脱酶1 (11β-HSD1). 蛋白质蛋白的结构变化会影响它们的抑制强度,而二基替代增强了它们的有效性.

科学领域:

环境化学环境化学
生物化学生物化学
药理学药理学是指药理学的学科.

背景情况:

芬化学品 (BPs) 是广泛使用的紫外线辐射保护剂和环境污染物.
11β-Hydroxysteroid脱酶1 (11β-HSD1) 在各种生理过程中对葡萄糖皮质体调节至关重要.

研究的目的:

研究12种类化学物质对四种不同物种 (人类,猪,老鼠,小鼠) 的11β-HSD1酶的抑制作用.
阐明与11β-HSD1相互作用的BP的结构-活性关系 (SAR) 和结合机制.

主要方法:

在体外查12个BP对人类,猪,老鼠和老鼠的11β-HSD1.
结构-活动关系 (SAR) 分析以确定抑制的关键结构特征.
在基中进行分子对接,以预测与酶活性部位的结合模式和相互作用.

主要成果:

二化学物质在物种之间表现出对11β-HSD1的不同抑制作用,特定的BP显示出显著的抑制作用.
血压化学物质作为11β-HSD1酶的混合/竞争性抑制剂.
在BP上的2.2'-二基替代物增强了抑制效果,可能是通过增加结.
对接分析显示,BP与NADPH/糖皮质体部位结合,与催化残留Ser和/或Tyr形成键.

结论:

索化学物质可以抑制人类,猪,老鼠和小鼠的11β-HSD1活性.
抑制功效和BP的结构变异显示了微妙的物种依赖的差异.
了解这些相互作用对于评估BP污染的生理影响至关重要.

关键词:

在11β-HSD1中.索芬是一种类.停靠的对接方式葡萄糖皮质类固醇是什么?代谢激活的代谢激活

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