基于生物传感器的活性成分识别系统用于选潜在的小分子 严重急性呼吸系统综合征 新冠肺炎 2 进入阻塞剂 针对 Rugosa 的尖端蛋白质
Wei Yu1,2, Sheng-Zhe Yi1, Cheng-Yu Jiang1
1School of Pharmacy/Key Laboratory of Xinjiang Phytomedicine Resource and Utilization/School of Medical, Shihezi University, Shihezi, China.
Biomedical chromatography : BMC
|August 10, 2024
概括
来自Rosa rugosa的酸和甲基酸被确定为汉chuan zupa颗粒中的活性成分,可以抑制SARS-CoV-2尖端蛋白与ACE2的结合,为COVID-19药物开发提供了潜力.
科学领域:
- 药理学 药理学是指药理学的学科.
- 病毒学 病毒学
- 生物化学 生物化学
背景情况:
- 汉chuan zupa颗粒 (HCZPs) 传统上用于COVID-19,但它们的活性化合物是未知的.
- 识别这些化合物对于理解HCZP的治疗机制和优化其使用至关重要.
研究的目的:
- 识别针对SARS-CoV-2尖端受体结合域 (S-RBD) 的HCZPs中的活性成分.
- 阐明这些化合物抑制病毒进入的机制,并为药物设计提供基础.
主要方法:
- 使用了基于表面等离子体共振 (SPR) 生物传感器的活性成分识别系统 (SPR-AIRS).
- 再组合的S-RBD和ACE2蛋白被用于结合试验.
- 超高性能液体染色学-并联质谱学 (UPLC-MS/MS) 识别的化合物.
- 进行了分子动力学模拟.
- 进行了SARS-CoV-2伪病毒感染测定.
主要成果:
- 来自Rosa rugosa的酸 (GA) 和甲基酸 (MG) 被确定为具有高亲和力的S-RBD配体 (KD分别为2.69微米和0.95微米).
- GA和MG通过与关键残留物形成键并直接与ACE2结合 (KD分别为5.10微米和4.05微米) 来抑制S-RBD与ACE2的结合.
- GA和MG抑制了SARS-CoV-2伪病毒进入细胞.
结论:
- GA和MG是HCZPs中的关键活性成分,通过抑制S-RBD/ACE2相互作用来中和SARS-CoV-2.
- 这些化合物显示出开发针对COVID-19的新型抗病毒药物的潜力.
- 这项研究为HCZP的成分和COVID-19治疗的治疗作用提供了宝贵的见解.
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