甲状腺和生殖功能:一些内分泌干扰从分子模拟中的观点
Ishfaq Ahmad Sheikh1,2, Mohd Amin Beg3, Muzafar A Macha4
1King Fahd Medical Research Center, King Abdulaziz University, Jeddah, 21589, Saudi Arabia. iasheikh@kau.edu.sa.
Ecotoxicology (London, England)
|August 30, 2024
概括
常见的杀虫剂,甲,可能会破坏生殖健康. 德尔塔美林与性激素结合球蛋白 (SHBG) 的结合比赛柏美林更强,可能会影响性类固醇的运输和可用性.
科学领域:
- 毒理学 毒理学 毒理学
- 分子生物学分子生物学
- 内分泌学 在内分泌学.
背景情况:
- 类杀虫剂是农业和家庭中广泛使用的杀虫剂,以广泛的有效性和低害虫耐药性而闻名.
- 研究表明,人体暴露于铁类药物可能导致生殖健康问题.
- 性激素结合球蛋白 (SHBG) 对于调节类固醇激素的可用性至关重要.
研究的目的:
- 为了研究甲和甲与SHBG连接体结合口袋的结构相互作用.
- 评估这些铁类药物干扰性类固醇激素与SHBG结合的潜力.
主要方法:
- 诱导适应对接 (IFD) 用于模拟甲状腺与SHBG类固醇结合口袋的结合.
- 分子动力学 (MD) 模拟在得到的SHBG-甲状腺体复合体上进行.
- 结构分析包括分子相互作用和结合能量的估计.
主要成果:
- 甲和甲都与SHBG口袋紧密结合,与原生配体二 (DHT) 共享共同的残留物.
- 与甲和DHT相比,deltamethrin表现出更高的结合能和更高的复合稳定性.
- 甲的结合能量值接近于DHT.
结论:
- 德尔塔美林表现出比赛柏美林更强的能力,可以从SHBG中取代性类固醇激素.
- 这两种类型的铁类药物都有可能干扰性类固醇激素的运输和可用性.
- 因此,这种干扰可能会影响生殖功能.
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