结构-活性研究揭示了优化依布硒啉类 SARS-CoV-2 主蛋白酶抑制剂的范围。
Structure-Activity Studies Reveal Scope for Optimisation of Ebselen-Type Inhibition of SARS-CoV-2 Main Protease.
机构信息
Department of Chemistry, University of Oxford, Chemistry Research Laboratory and the Ineos Oxford Institute for Antimicrobial Research, 12 Mansfield Road, Oxford, OX1 3TA, UK.
Department of Biochemistry, Center for Artificial Intelligence in Precision Medicines, King Abdulaziz University, Jeddah, Saudi Arabia.
出版信息
ChemMedChem. 2022 Feb 16;17(4):e202100582. doi: 10.1002/cmdc.202100582. Epub 2021 Dec 27.
The reactive organoselenium compound ebselen is being investigated for treatment of coronavirus disease 2019 (COVID-19) and other diseases. We report structure-activity studies on sulfur analogues of ebselen with the Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2) main protease (M ), employing turnover and protein-observed mass spectrometry-based assays. The results reveal scope for optimisation of ebselen/ebselen derivative- mediated inhibition of M , particularly with respect to improved selectivity.
正在研究反应性有机硒化合物依布硒啉治疗 2019 年冠状病毒病（COVID-19）和其他疾病。我们报告了依布硒啉的硫类似物与严重急性呼吸综合征冠状病毒 2（SARS-CoV-2）主蛋白酶（M）的结构-活性研究，采用周转和基于蛋白质观察的质谱测定法进行。结果表明，依布硒啉/依布硒啉衍生物介导的 M 抑制作用具有优化的空间，特别是在提高选择性方面。
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