Abstract
Mono-/dimeric-substituted pyridinium and pyrazolium bromides were prepared under conventional and solvent-free silica-supported domestic microwave conditions. The atom economy, environmental product mass intensity and product mass intensity for solvent-free reactions showed significant importance for the synthesis of target molecules. 4-Nitrobenzyl-substituted pyridinium bromide showed potent anticancer properties compared with mono-/dimeric-substituted pyridinium and pyrazolium bromides against a lung cancer cell line (A-549). Molecular simulation studies were carried out for mono-/dimeric-substituted pyridinium and pyrazolium bromide against protein human CDK1/cyclinB1/CKS2 using the AutoDock program.