Synthesis, spectra (FT-IR, NMR) investigations, DFT study, in silico ADMET and Molecular docking analysis of 2-amino-4-(4-aminophenyl)thiophene-3-carbonitrile as a potential anti-tubercular agent
Queen S. Obu, Hitler Louis, Joseph O. Odey, Ishegbe J. Eko, Shuaibu Abdullahi, Tabe N. Ntui, O.E. Offiong
Topics & Concepts
Natural bond orbitalChemistryHOMO/LUMOMulliken population analysisDensity functional theoryChemical shiftComputational chemistryMolecular orbitalPopulationBasis setMoleculeCrystallographyStereochemistryPhysical chemistryOrganic chemistrySociologyDemographyNonlinear Optical Materials ResearchSynthesis and biological activitySynthesis and Characterization of Heterocyclic Compounds