%0 Journal Article %T Synthesis and Structural Analysis of a Novel Stable Quinoline Dicarbamic Acid: X-Ray Single Crystal Structure of (2-((4-((2-(Carboxy(methyl)amino)ethoxy)carbonyl) quinoline-2-yl)oxy) ethyl) (methyl)-carbamic Acid and Molecular Docking Assessments to Test Its Inhibitory Potential against SARS-CoV-2 Main Protease %J Chemical Methodologies %I Sami Publishing Company %Z 2645-7776 %A Selmi, Ahmed %A Zarei, Armin %A Tachoua, Wafa %A Puschmann, Horst %A Teymourinia, Hakimeh %A Ramazani, Ali %D 2022 %\ 06/01/2022 %V 6 %N 6 %P 463-474 %! Synthesis and Structural Analysis of a Novel Stable Quinoline Dicarbamic Acid: X-Ray Single Crystal Structure of (2-((4-((2-(Carboxy(methyl)amino)ethoxy)carbonyl) quinoline-2-yl)oxy) ethyl) (methyl)-carbamic Acid and Molecular Docking Assessments to Test Its Inhibitory Potential against SARS-CoV-2 Main Protease %K crystal structure %K Single X-ray Crystal structure %K COVID-19 %K SARS-CoV-2 main protease %K Molecular docking %R 10.22034/chemm.2022.335353.1462 %X The crystal structure of quinoline derivative with empirical formula (C18H21N3O7) was determined using single crystal X-ray diffraction, which belongs to the monoclinic system with the P21/c space group. The cohesion and stabilization of the structure were provided by C-H…O hydrogen bond and Van-Der Waals interactions. A molecular docking study was performed to determine its antiviral potency between the SARS-CoV-2 main protease (Mpro) (PDB ID: 6Y2E) and chloroquine was chosen as a standard because of its similarity with our synthetic quinoline-based compound. Six herbal compounds and synthetic drugs bound to the active site of the target in order to compare their results with synthetic quinoline-based compound. This synthetic compound showed the lowest binding energy of -7.6 kcal.mol-1, proving that this molecule seems to be a good candidate against the SARS-CoV-2. %U https://www.chemmethod.com/article_148534_a3c9fa7598b526f38ceb31882b333249.pdf