LAUSR

Abstract Novel heterocyclic bioactive small molecules bearing thioether moiety, fluorine containing dihydro pyridine and dihydro pyran were synthesized and characterized using spectroscopic methods (FT-IR, 1H, 13C and 19F NMR), LC-MS and SC-XRD. The reaction conducted is highly environment-friendly involving d -α-Tocopherol polyethylene glycol succinate (TPGS) - Water binary solvent as reaction medium. All of the synthesized final compounds were evaluated against 2 g-negative [Escherichia coli (ATCC 25922) and Pseudomonas aeruginosa (ATCC 27853)] and 1 g-positive [Staphylococcus aureus (ATCC 29213)] bacterial strains by in vitro. Molecular docking experiments were carried out against p53-MDM2 tumor suppressor protein to gain more insights into the binding mode of the final compounds. In this study, we discovered potent p53-MDM2 inhibition by 2-thiobenzyl-3-formyl quinoline, 2-thio-1,2-dihydroquinoline-3-formyl N-substituted thiosemi-carbazone and fluorine substituted new pyridine and pyran derivatives by structure-based design.