Analysis of spectroscopic, quantum chemical calculations, molecular docking, RDG, ELF, anticancer and antimicrobial activity studies on bioactive molecule 2-[3-(4-Chlorophenyl)-5-(4-(propane-2-yl) phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-(4-methoxyphenyl)-1,3-thiazol
A. Viji, B.K. Revathi, V. Balachandran, S. Babiyana, B. Narayana, Vinutha V. Salian
Topics & Concepts
Natural bond orbitalChemistryMoleculeComputational chemistryDocking (animal)AntimicrobialAtomic orbitalFukui functionCovalent bondHydrogen bondDensity functional theoryAtoms in moleculesStereochemistryCombinatorial chemistryOrganic chemistryElectrophilePhysicsNursingMedicineQuantum mechanicsElectronCatalysisSynthesis and biological activityNonlinear Optical Materials ResearchSynthesis and Characterization of Heterocyclic Compounds