模拟化学物质和蛋白质之间的相互作用,以预测空气污染对健康的影响
Md Ramjan Sheikh1, Hasna Heena Mahmud2, Md Saikat Hossen3
1Department of Biochemistry and Molecular Biology, Gono Bishwabidyalay, Dhaka 1344, Bangladesh.
一氧化碳 (CO) 和硫化 (H2S) 造成的空气污染通过影响关键生物过程对人类健康产生影响. 这项研究确定了关键的蛋白质和分子相互作用,揭示了与呼吸,心血管和神经功能相关的途径.
科学领域:
- 环境健康 环境健康
- 分子生物学分子生物学
- 毒理学 毒理学 毒理学
背景情况:
- 空气污染对人类健康构成重大风险,原因是温室气体排放量增加和城市化.
- 了解空气污染物毒性的分子机制对于公共卫生干预至关重要.
研究的目的:
- 调查一氧化碳 (CO) 和硫化 (H2S) 暴露影响的分子相互作用和途径.
- 确定关键蛋白质及其在这些空气污染物影响的生物过程中的作用.
主要方法:
- 使用STITCH 4.0和STRING 9.0数据库进行网络分析 (PCI和PPI).
- 使用OmicsBox v.3.0进行功能和通路分析,并使用Cytoscape v.3.10.3.3识别了关键蛋白质.
- 使用AutoDock vina进行分子对接,以评估直接的蛋白质污染物相互作用.
主要成果:
- 发现CO和H2S与包括红色素形成,氧化应激,能量代谢和氨基酸代谢在内的生物过程相互作用.
- 六种基本蛋白质 (FECH,HMOX1,ALB,CTH,CBS,CBSL) 被确定为Reactome和KEGG通路的关键调节者.
- 分子对接显示了CO与ADI1的强大的结合亲和力 (-1.9千卡/毫升),而H2S则表现出较弱的结合 (<-0.9千卡/毫升).
结论:
- 空气污染物CO和H2S破坏了影响呼吸,心血管和神经健康的重要分子通路.
- 鉴定的蛋白质和途径为了解和减轻空气污染对健康的影响提供了目标.
- 对空气污染分子影响的进一步研究对于为公共卫生政策提供信息至关重要.
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