Quantum computational, spectroscopic and molecular docking studies of potent tuberculosis drug 2,6-dihydroxypyridine-4-carboxylic acid and 2‑hydroxy -6-methylpyridine-4-carboxylic acid
R. Arivazhagan, C. Sridevi, A. Prakasam
Topics & Concepts
ChemistryNatural bond orbitalHOMO/LUMOCarboxylic acidDensity functional theoryMoleculeFukui functionComputational chemistryCarbon-13 NMRChemical shiftDocking (animal)StereochemistryElectrophileOrganic chemistryPhysical chemistryCatalysisNursingMedicineNonlinear Optical Materials ResearchSynthesis and biological activitySynthesis and Characterization of Heterocyclic Compounds