Zhang Yadong, Ren Jingyi, Zhu Siqi, Guo Zihao, Pei Huanting, Sun Xiaoya, Wu Jiarui, Yang Weijie, Zuo Jinshi, Ma Yuxia
Hebei Key Laboratory of Environment and Human Health, Department of Nutrition and Food Hygiene, School of Public Health, Hebei Medical University, Shijiazhuang 050017, China.
Department of Occupational and Environmental Health, School of Public Health, Xi'an Jiaotong University Health Science Center, Xi'an 710061, China.
Toxics. 2024 Dec 14;12(12):910. doi: 10.3390/toxics12120910.
Microplastics (MPs) are ubiquitous on earth, posing a growing threat to human health. Previous studies have shown that the lung is a primary organ for MPs exposure. Resveratrol (RES) is a common dietary polyphenol that exhibits anti-inflammatory and antioxidant effects. However, whether RES exerts a protective effect against MPs-induced lung damage is still unknown.
The targets of RES were retrieved from five databases. Differentially expressed genes (DEGs) were identified through comprehensive bioinformatic analysis. Multiple algorithms were employed to screen for the core targets. Ultimately, molecular docking analysis and molecular dynamics (MD) simulations were utilized to confirm the binding affinity between RES and the core targets.
In total, 1235 DEGs were identified in the transcriptomes. After removing duplicates, a total of 739 RES targets were obtained from five databases, and 66 of these targets intersected with DEGs. The potential core targets (Esr1, Ccl2) were further identified through topological analysis and machine learning. These findings were subsequently verified by molecular docking and MD simulations.
This study demonstrated that RES may mitigate lung injury induced by MPs by targeting Esr1 and Ccl2. Our research offers a novel perspective on the prevention and treatment of MPs-induced lung injury.
微塑料在地球上广泛存在,对人类健康构成日益严重的威胁。先前的研究表明,肺是微塑料暴露的主要器官。白藜芦醇(RES)是一种常见的膳食多酚,具有抗炎和抗氧化作用。然而,RES是否对微塑料诱导的肺损伤具有保护作用仍不清楚。
从五个数据库中检索RES的靶点。通过综合生物信息学分析鉴定差异表达基因(DEG)。采用多种算法筛选核心靶点。最终,利用分子对接分析和分子动力学(MD)模拟来确认RES与核心靶点之间的结合亲和力。
在转录组中共鉴定出1235个DEG。去除重复项后,从五个数据库中总共获得739个RES靶点,其中66个靶点与DEG相交。通过拓扑分析和机器学习进一步鉴定了潜在的核心靶点(Esr1、Ccl2)。随后通过分子对接和MD模拟验证了这些发现。
本研究表明,RES可能通过靶向Esr1和Ccl2减轻微塑料诱导的肺损伤。我们的研究为微塑料诱导的肺损伤的预防和治疗提供了新的视角。