Synthesis, in silico study (DFT, ADMET) and crystal structure of novel sulfamoyloxy-oxazolidinones: Interaction with SARS-CoV-2

Journal of Molecular Structure(2022)

引用 5|浏览7
暂无评分
摘要
•10 derivatives of novel sulfamoyloxy-oxazolidinones were designed and synthesized.•The structure of the new compounds was confirmed using spectroscopy and spectrometry methods (IR, LC-MS, NMR and EA).•Molecular docking study was performed in order to evaluate synthesized compounds as possible inhibitors of SARS-CoV-2.•The physicochemical properties of sulfamoyloxy-oxazolidinones has been optimized using bioinformatics studies (DFT, ADMET).•A single crystal of the studied compound 6C, were selected for single crystal X-ray diffraction analysis.
更多
查看译文
关键词
Sulfamoyloxy-oxazolidinone,SARS-CoV-2,In silico study,Crystal structure,Molecular docking,DFT study
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要