Synthesis, X-ray crystal structure, IR and Raman spectroscopic analysis, quantum chemical computational and molecular docking studies on hydrazone-pyridine compound: As an insight into the inhibitor capacity of main protease of SARS-CoV2
Tufan Topal, Yunus Zorlu, Nazan Karapınar
Topics & Concepts
ChemistryTriclinic crystal systemNatural bond orbitalCrystallographyMoleculePyridineComputational chemistryRaman spectroscopyMolecular orbitalConformational isomerismBasis setHydrazoneDensity functional theoryCrystal structurePhysical chemistryStereochemistryOrganic chemistryOpticsPhysicsNonlinear Optical Materials ResearchSynthesis and biological activityComputational Drug Discovery Methods