Abstract
Urease is a therapeutic target associated with several important diseases and health problems. Based on our previous work on the inhibition of glucosidase and other enzymes and exploiting the privileged structure assigned to the (thio)barbiturate (pyrimidine) scaffold, here we tested the capacity of two (thio)barbiturate-based compound collections to inhibit urease. Several compounds showed more activity than acetohydroxamic acid as a standard tested compound. In addition, by means of a conformational study and using the Density Functional Theory (DFT) method, we identified energetically low-lying conformers. Finally, we undertook a docking study to explore the binding mechanism of these new pyrimidine derivatives as urease inhibitors.
Highlights
Many microorganisms use nitrogen from urease for growth.Urease is an enzyme that catalyzes the hydrolysis of urea into ammonia and carbon dioxide.There is a link between health complications and ammonia production by urease [1]
Based on our previous work addressing the inhibition of glucosidase and taking advantage of
Based on our previous work addressing the inhibition of glucosidase and taking advantage of the privileged structure associated with thebarbiturate scaffold, here we have the privileged structure associated with thebarbiturate scaffold, here we have identified compounds with high in vitro anti-urease activity
Summary
Many microorganisms use nitrogen from urease for growth (urea amidohydrolase, EC: 3.5.1.5).Urease is an enzyme that catalyzes the hydrolysis of urea into ammonia and carbon dioxide.There is a link between health complications and ammonia production by urease [1]. Many microorganisms use nitrogen from urease for growth (urea amidohydrolase, EC: 3.5.1.5). Urease is an enzyme that catalyzes the hydrolysis of urea into ammonia and carbon dioxide. There is a link between health complications and ammonia production by urease [1]. Low pH of the stomach allows microbial strains to survive, multiply, and grow, resulting in pyelonephritis, hepatic coma, gastric carcinoma, gastric lymphoma, kidney stones, and peptic ulcer complications [2,3]. The treatment of bacterial infection with therapeutics has often proven ineffective due to drug resistance. There is a clear need for alternatives or novel treatments.
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