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

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.