DOI: 10.18586/msufbd.1893875 ISSN: 2147-7930

DESIGN, SYNTHESIS, CHARACTERIZATION AND IN SILICO STUDIES OF PYRIMIDINE-SULFONATE HYBRID MOLECULES

Hakan Aslan, Adem Korkmaz
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In this study, four novel pyrimidine-sulfonate hybrid molecules (6a-d) were synthesized and characterized using spectroscopic techniques. The interactions affinity values of 6a-6d with enzymes acetylcholinesterase, glutathione s-transferase, pancreatic lipase and tyrosinase were calculated by means of molecular docking. Of the acetylcholinesterase, the affinity values of all compounds except 6d were observed to be better than the standard donepezil. These four synthesized compounds exhibited stronger inhibition activity against other enzymes—glutathione s-transferase, pancreatic lipase, and tyrosinase—than the standards used. The physicochemical properties, drug-likeness, and effects on biological systems of the 6a-6d were investigated by using Swissadme and PreADMET programs. Based on the results of in silico studies, it can be said that compound 6a has potential as a drug for the treatment of Alzheimer's, obesity, and skin diseases, and as a good glutathione s transferase inhibitor.

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