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 which causes oxidative stress. Pyridopyrimidines are important molecule in heterocyclic chemistry, gaining interest because of their biological and pharmacological activities, especially for their potential anti-tumor, antibacterial and tyrosine kinase inhibitors, among other pharmacological properties along with anti-oxidant properties. Materials and Methods: In the current study, novel pyridopyrimidines derivatives i.e different substituted 7-phenyl-5-(thiophen-2-yl)-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidine-4(1H)-one(3a-p) were synthesized to develop potent anti-oxidant agent. Based the in-silico studies, especially depending on the docking score, 8 compounds were selected for the synthesis and evaluated for their anti-oxidant potency. Selected compounds were synthesized using mercapto-4hydroxy-6-amino pyrimidine (1) and substituted α, βunsaturated ketones(2a-p). Results: Synthesized compounds were characterized by IR, NMR and Mass spectra. In-vitro antioxidant studies were performed for 8 best scored compounds by DPPH assay and nitric oxide inhibition assay. From the in-vitro result, compound 3j, 3a, and 3o are considered as promising molecules. Conclusion: The promising activity may be because of presence of electron releasing group (3a-p-OH, 3o-p-NH 2 ) and electron withdrawing group (3jp-CF 3 ) which can be considered as lead molecules for the further discovery.

Design, Synthesis, In‐silico Studies and Antiproliferative Evaluation of Novel Indazole Derivatives as Small Molecule Inhibitors of B‐Raf

“…Depending on the total volume of cell culture, the amount of DMSO used will vary. Using an absorbance plate reader, we assessed the concentration of each sample at OD570 nm [23] …”

Discovery of Novel 1,2,4‐Oxadiazolyl Triazole Hybrids as B‐Raf Inhibitors for the Treatment of Melanoma

“…The MTT ((3-(4, 5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide)) assay is used to measure cellular metabolic activity as an indicator of cell viability, proliferation and cytotoxicity. [20] This colorimetric assay is based on the reduction of a yellow tetrazolium salt (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide or MTT) to purple formazan crystals by metabolically active cells. [21] The MTT assay was used to test the anti-proliferative effects of the synthetic compounds on A375 and Skmel-23 cells.…”