Computational, spectroscopic and molecular docking investigation on a bioactive anti-cancer drug: 2-Methyl-8-nitro quinoline
A. Saral, P.N. Sudha, S. Muthu, Ahmad Irfan
Topics & Concepts
ChemistryNatural bond orbitalHOMO/LUMOComputational chemistryADMEFukui functionMoleculeDensity functional theoryRamachandran plotDocking (animal)NitroStereochemistryOrganic chemistryElectrophileProtein structureCatalysisIn vitroBiochemistryMedicineAlkylNursingNonlinear Optical Materials ResearchSynthesis and biological activityComputational Drug Discovery Methods