相关实验视频

Updated: Jan 15, 2026

Mapping Dysfunctional Protein-Protein Interactions in Disease

Mapping Dysfunctional Protein-Protein Interactions in Disease

Published on: October 24, 2025

基于AlphaFold3的全人蛋白质组分子相互作用分析,以评估PFOS及其替代品F-53B之间的毒性

Haoran Li¹, Nannan Chen², Bo Yu³

¹Department of Pharmacy, The Second Hospital of Hebei Medical University, Shijiazhuang 050000, China; State Key Laboratory of Neurology and Oncology Drug Development, Nanjing 210023, China.

|October 15, 2025

概括

作为PFOS的替代品的化学物质F-53B显示出增加毒性的潜力. 分子对接显示 8:2 Cl-PFESA强烈与人体蛋白质结合,这表明对胆固醇合成和化学传感功能存在风险.

科学领域:

环境化学环境化学
毒理学毒理学毒理学
计算生物学计算生物学

背景情况:

perfluorooctane硫酸 (PFOS) 是由于其毒性而受到监管的化学物质.
含有6:2和8:2化多基乙烯硫酸盐 (Cl-PFESA) 的F-53B作为PFOS替代品使用.
新出现的数据表明F-53B也可能对健康构成风险.

研究的目的:

为了研究PFOS, 6:2 Cl-PFESA和 8:2 Cl-PFESA与人类蛋白质的分子相互作用.
为了确定潜在的毒性机制,并比较这些化合物的结合亲和力.
评估F-53B是否是一种比PFOS更安全的替代品.

主要方法:

使用AlphaFold3用于人类蛋白质结构和AutoDock Vina用于分子对接.
进行了58,496次对接计算以分析结合亲和关系和模式.
进行功能丰富分析以了解生物影响.

主要成果:

8:2 Cl-PFESA表现出最强的整体结合能力,针对EBPL和LSS等蛋白质.
PFOS优先结合OR5D14,而6:2 Cl-PFESA与SULT6B1.1发生相互作用.
8: 2 Cl-PFESA (413个目标) 的超强结合 (≤-10.0 kcal/mol) 是最高的,其次是 6:2 Cl-PFESA (98) 和 PFOS (78).

结论:

F-53B,特别是 8:2 Cl-PFESA,可能比PFOS具有更大的毒性潜力.
观察到的相互作用表明对嗅觉转导,胆固醇合成和表观遗传调节的影响.
计算发现需要实验验证,以确认毒性概况.

关键词:

阿尔法Fold3是什么意思美国F-53B战斗机分子对接是分子对接.在PFOS系统中,我们可以整个蛋白质组的分析

更多相关视频

In Vivo Hydroxyl Radical Protein Footprinting for the Study of Protein Interactions in Caenorhabditis elegans

In Vivo Hydroxyl Radical Protein Footprinting for the Study of Protein Interactions in Caenorhabditis elegans

Published on: April 1, 2020

Genome-wide Protein-protein Interaction Screening by Protein-fragment Complementation Assay PCA in Living Cells

Genome-wide Protein-protein Interaction Screening by Protein-fragment Complementation Assay PCA in Living Cells

Published on: March 3, 2015

相关概念视频

Protein-protein Interfaces

Protein-protein Interfaces

Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a...