In-silico Studies, Synthesis and Antioxidant Studies of Different Substituted 7-Phenyl-5-(Thiophen-2-Yl)- 2-Thioxo-2,3-Dihydropyrido[2,3-D]Pyrimidine-4(1h)- Ones

Abstract: Background: Free radicals and ROS which are formed in normal physiological conditions, damages the cells if it is not eliminated by endogenous system causes oxidative stress. Pyridopyrimidines important molecule heterocyclic chemistry, gaining interest because of their biological pharmacological activities, especially for potential anti-tumor, antibacterial tyrosine kinase inhibitors, among other properties along with anti-oxidant properties. Materials Methods: In current study, novel pyridopyrimidines derivatives i.e different substituted 7-phenyl-5-(thiophen2-yl)-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidine-4(1H)-one(3a-p) were synthesized to develop potent agent. Based in-silico studies, depending on docking score, 8 compounds selected synthesis evaluated potency. Selected using mercapto-4- hydroxy-6-amino pyrimidine (1) α, β- unsaturated ketones(2a-p). Results: Synthesized characterized IR, NMR Mass spectra. In-vitro antioxidant studies performed best scored DPPH assay nitric oxide inhibition assay. From in-vitro result, compound 3j, 3a, 3o considered as promising molecules. Conclusion: The activity may be presence electron releasing group (3a- p-OH, 3o- p-NH2) withdrawing (3jp-CF3) can lead molecules further discovery. Keywords: Pyridopyrimidines, Thiophene, In-silico, Synthesis, Anti-oxidant.