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SARS-CoV-2 蛋白质对树脂复合物单体和聚合链具有很强的结合亲和力
Pedro Henrique Sette-de-Souza1,2, Moan Jéfter Fernandes Costa1,3, Boniek Castillo Dutra Borges4,5
1Faculdade de Odontologia, Universidade de Pernambuco-campus Arcoverde, Arcoverde 56503-146, Pernambuco, Brazil.
World journal of experimental medicine
|March 21, 2025
概括
严重急性呼吸道综合征-冠状病毒2 (SARS-CoV-2) 蛋白质与树脂复合物单体结合. 这种相互作用通过键和疏水性相互作用发生,这表明SARS-CoV-2和牙科材料之间存在联系.
科学领域:
- 口腔生物学 口腔生物学
- 病毒学 病毒学
- 材料科学是一种材料科学.
背景情况:
- 唾液和唾液腺是SARS-CoV-2的储存库,通过气溶和液滴促进传播.
- 在SARS-CoV-2和口腔结构,特别是树脂复合材料之间的相互作用,仍然在很大程度上未经调查.
研究的目的:
- 以计算方式评估SARS-CoV-2蛋白质与常见于树脂复合材料中的单体的结合亲和力.
主要方法:
- 使用分子对接模拟来评估四种SARS-CoV-2蛋白质 (主要蛋白质酶,3C类蛋白质酶,帕帕因类蛋白质酶 (PLpro) 和尖端糖蛋白) 和四种树脂复合单体之间的结合能量.
- 唾液氨酶作为阳性对照.
主要成果:
- SARS-CoV-2 蛋白质与树脂复合物单体的结合亲和度在 -3.6 到 -7.3 kcal/mol 之间.
- 3个单质链对PLpro和尖端糖蛋白产生了最高的亲和力.
- 相互作用涉及病毒蛋白和非聚合物和聚合物树脂复合链之间的键和疏水力.
结论:
- SARS-CoV-2 蛋白与非聚合物和聚合物树脂复合材料相互作用.
- 这些发现凸显了病毒与牙科修复材料之间的潜在相互作用.
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