Spectroscopic elucidation (FT-IR, FT-Raman and UV-visible) with NBO, NLO, ELF, LOL, drug likeness and molecular docking analysis on 1-(2-ethylsulfonylethyl)-2-methyl-5-nitro-imidazole: An antiprotozoal agent
P. Manjusha, Johanan Christian Prasana, S. Muthu, B. Fathima Rizwana
Topics & Concepts
Natural bond orbitalChemistryComputational chemistryAntiprotozoalDocking (animal)Ramachandran plotDensity functional theoryMolecular orbitalMulliken population analysisHOMO/LUMOStereochemistryOrganic chemistryProtein structureMoleculeBiochemistryMedicineNursingIn vitroNonlinear Optical Materials ResearchSynthesis and biological activitySynthesis and Characterization of Heterocyclic Compounds