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探索SARS-CoV-2尖端蛋白中的脂肪酸结合口袋 - 已确认和潜在的连接体
Luís Queirós-Reis1, João R Mesquita1,2, Andrea Brancale3
1Abel Salazar Institute of Biomedical Sciences (ICBAS), University of Porto, 4050-313 Porto, Portugal.
Journal of chemical information and modeling
|November 22, 2023
概括
研究人员审查了针对SARS-CoV-2尖端蛋白的化合物.
科学领域:
- 病毒学 病毒学
- 结构生物学 结构生物学
- 药物发现 药物发现 药物发现
背景情况:
- 严重急性呼吸系统综合征2 (SARS-CoV-2) 是导致COVID-19的原因.
- 尖尖糖蛋白对于病毒进入宿主细胞至关重要.
- 尖端蛋白上的脂肪酸结合口袋 (FABP),当被占用时,会稳定一个不活跃的形状,阻碍细胞识别.
研究的目的:
- 审查向SARS-CoV-2尖端蛋白的FABP的配体.
- 为了将in silico预测与实验性抗活动相关联.
- 探索潜在的广泛的抗病毒药物.
主要方法:
- 20项研究的文献综述.
- 对小分子结合的in silico预测的分析.
- 对抗病毒活性实验性结合试验和细胞感染试验的评估.
主要成果:
- 临酸 (LA),lifitegrast和SPC-14被确定为尖端蛋白的FABP的配体.
- 在 silico 研究中预测了 20 种小分子化合物,这些化合物可以结合口袋.
- 活性化合物通常具有长的灵活碳链或视网蛋白,稳定不活跃的尖峰形状.
结论:
- 结合尖端蛋白的FABP的配体可以稳定其非活性构造,降低病毒感染力.
- 在其他致病性冠状病毒 (MERS-CoV,SARS-CoV) 中保留了FABP.
- 准这一口袋为开发针对冠状病毒的广泛抗病毒疗法提供了潜力.
关键词:
这是一种S糖蛋白蛋白.这就是SARS-CoV-2病毒.标签:SPC-14 标签: 美国脂肪酸结合口袋 (FABP) 是指脂肪酸结合口袋.他们的生活方式是巨大的.连接器 连接器 连接器亚麻酸 (LA) 是一种亚麻酸.尖子蛋白质是什么?虚拟选 虚拟选 虚拟选更多相关视频
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