Bis-thiobarbiturate derivatives 1-15 have been synthesized, characterized by 1HNMR and El-MS and screened for urease inhibition. All compounds showed various degree of urease inhibitory activity with iC50 values rangi...Bis-thiobarbiturate derivatives 1-15 have been synthesized, characterized by 1HNMR and El-MS and screened for urease inhibition. All compounds showed various degree of urease inhibitory activity with iC50 values ranging 7.45 ± 0.12 - 74.24 ± 0.81 μmol/L while the standard thiourea behaved normally （ICso = 21.10 ±0.12）. Compounds I （IC50= 7.45 ± 0.12 ]μmol/L）, 9 （IC50 =18,17 ± 1.03 bmol/L） and 13 （IC50= 8.61 ± 0.45 bmol/L） showed excellent urease inhibitory activity in the series. Molecular modeling studies were performed to understand the binding site with the bimetallic nickel center of the enzyme. Structure-activity relationship has also been established for these compounds. This study identified bis- thiobarbiturate as a novel class of urease inhibitors.展开更多
基金HEC Pakistan, Department of Chemistry, COMSATS Abbottabad,for this project
文摘Bis-thiobarbiturate derivatives 1-15 have been synthesized, characterized by 1HNMR and El-MS and screened for urease inhibition. All compounds showed various degree of urease inhibitory activity with iC50 values ranging 7.45 ± 0.12 - 74.24 ± 0.81 μmol/L while the standard thiourea behaved normally （ICso = 21.10 ±0.12）. Compounds I （IC50= 7.45 ± 0.12 ]μmol/L）, 9 （IC50 =18,17 ± 1.03 bmol/L） and 13 （IC50= 8.61 ± 0.45 bmol/L） showed excellent urease inhibitory activity in the series. Molecular modeling studies were performed to understand the binding site with the bimetallic nickel center of the enzyme. Structure-activity relationship has also been established for these compounds. This study identified bis- thiobarbiturate as a novel class of urease inhibitors.
