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探索非共价SARS-CoV-2主要蛋白酶抑制剂的有效性:一项计算机模拟分析研究

Fei Xiong1, Yan-Jun Zhang1, Hui-Ying Jiang1

  • 1Department of Chemistry, University of Shanghai for Science and Technology, Shanghai, P. R. China.

Chemistry & biodiversity
|March 25, 2024
PubMed
概括

研究人员设计了针对SARS-CoV-2主要蛋白酶的新型非共价抑制剂,这是一个关键的病毒酶. 化合物N02和N03显示为开发新的抗病毒疗法最有前途.

关键词:
接收人 接收人在 DFT 方面,它是最重要的.模拟MDMD的模拟主要蛋白酶抑制剂 主要蛋白酶抑制剂这就是SARS-CoV-2病毒.

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Coronaviruses, including the severe acute respiratory syndrome coronavirus (SARS-CoV), are enveloped viruses characterized by their single-stranded, positive-sense RNA genome and helical nucleocapsid structure. The hallmark of these viruses is their club-shaped spike (S) glycoproteins that protrude from the viral envelope, facilitating attachment to host cells. Typically, coronaviruses infect the upper respiratory tract, often causing mild or asymptomatic disease. However, certain strains like...