Synthesis, crystal structure, Hirshfeld surface analysis, biological evaluation, DFT calculations, and in silico ADME analysis of 4-arylidene pyrazolone derivatives as promising antibacterial agents
Imène Sehout, Houssem Boulebd, Raouf Boulcina, Sara Nemouchi, Lamia Bendjeddou, Amina Bramki, Hocine Mérazig, Abdelmadjid Debache
Topics & Concepts
ChemistryADMEMolecular orbitalIn silicoComputational chemistryCombinatorial chemistryMoleculeOrganic chemistryBiochemistryGeneIn vitroSynthesis and biological activityMulticomponent Synthesis of HeterocyclesSynthesis of heterocyclic compounds