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Synthesis, theoretical calculations, X-ray, HS and energy framework analysis, molecular docking of amino pyrazole containing azo dye and its inhibition activity of COVID-19 main protease

Aykut Demirçalı, Tufan Topal

2023Journal of Molecular Structure19 citationsDOI

Topics & Concepts

ChemistryPyrazoleMoleculeHydrogen bondCrystallographyIntermolecular forceDocking (animal)Proton NMRDensity functional theoryDiazoOrthorhombic crystal systemCrystal structureComputational chemistryStereochemistryOrganic chemistryMedicineNursingSynthesis and biological activityComputational Drug Discovery MethodsSynthesis and Characterization of Heterocyclic Compounds
Synthesis, theoretical calculations, X-ray, HS and energy framework analysis, molecular docking of amino pyrazole containing azo dye and its inhibition activity of COVID-19 main protease | Litcius