Synthesis, E-pharmacophore, Molecular Docking Studies with SARS-CoV-2 Protease, Their Biological Properties and DFT Calculation of Some New Indolo[3,2-c]Isoquinoiline Hybrids

Novel indolo [3,2-c]isoquinoline-5-one-6-yl [1,2,4]triazolo [3,4-b] [1,3,4]thiadiazole analogues: Design, synthesis, anticancer activity, docking with SARS-CoV-2 Omicron protease and MESP/TD-DFT approaches

“…Recently, we have reported 6 H -indolo [3,2-c]isoquinolin-5(11 H )-ones. [6] , [7] , [8] The core emphasis of this study is to synthesize and broadcast there in vitro anticancer activity. In computational chemistry, DFT (density functional theory) is indeed a quantum mechanical (QM) approach to identify the atomic structure (electron structure) of molecules.…”