University of Mysore
Schiff base, Copper complex, Crystal structure, Computational studies, Antibacterial studies
Chalcone, X-ray diffraction, Hirshfeld surface analysis, and DFT studies, energy framework, NCI-RDG
Isonicotinate, Crystal structure, Energy framework, DFT studies, Molecular docking
Crystal structure, Density functional theory, Docking, Dynamics simulations, CADD (computer aided drug design).
Regioselective benzylation, Imidazo[1, 5-a]pyridines, Indoles, Carbon-Carbon (C-C) bond, Density Functional Theory (DFT), Hirshfeld surface analysis
Schiff base, π‧‧‧π stacking interactions, QTAIM, Antibacterial studies, Molecular docking.
β-diketone Cu(II) complex, crystal engineering, energy framework, NCI-RDG
N-acylhydrazone, Schiff base, Enrichment ratio, Molecular dynamics, Prostate cancer
Blue-shifting, halogen bonds, hydrogen bonds, NCI analysis, QTAIM analysis.
