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以托吡酯为结构平台比较氨基磺酸酯和氨基磺酰胺基团对碳酸酐酶-II的抑制作用。

Comparison of sulfamate and sulfamide groups for the inhibition of carbonic anhydrase-II by using topiramate as a structural platform.

作者信息

Maryanoff Bruce E, McComsey David F, Costanzo Michael J, Hochman Coralie, Smith-Swintosky Virginia, Shank Richard P

机构信息

Drug Discovery, Johnson & Johnson Pharmaceutical Research & Development, Spring House, Pennsylvania 19477-0776, USA.

出版信息

J Med Chem. 2005 Mar 24;48(6):1941-7. doi: 10.1021/jm040124c.

Abstract

This paper examines the relative effectiveness of sulfamate and sulfamide groups for the inhibition of carbonic anhydrase-II (CA-II). Topiramate (1) and its sulfamide analogue 4, and 4,5-cyclic sulfate 6 and its sulfamide analogue 5, were compared for inhibition of human CA-II. A colorimetric assay, based on the pH shift that accompanies hydration of carbon dioxide, and an esterase assay were used. For these bioisosteric pairs, 1/4 and 6/5, the sulfamate compound was markedly more potent than its sulfamide counterpart. A similar, large difference in potency was also observed for the sulfamate/sulfamide pairs 14/15 and 16/17. These results indicate that the sulfamide moiety is not particularly suitable for obtaining potent carbonic anhydrase inhibition. A discussion of this structure-activity relationship with respect to the interactions of 1 and 6 with CA-II from published X-ray data is presented. A metabolic acidosis study was performed in rats with 1, 4, 6, and 2, and the results are discussed with respect to the degree of inhibition of CA-II in vivo.

摘要

本文研究了氨基磺酸酯基和氨基磺酰胺基对碳酸酐酶-II(CA-II)的抑制效果。比较了托吡酯(1)及其氨基磺酰胺类似物4,以及4,5-环硫酸酯6及其氨基磺酰胺类似物5对人CA-II的抑制作用。采用了基于二氧化碳水合作用伴随的pH变化的比色法和酯酶测定法。对于这些生物电子等排体对,即1/4和6/5,氨基磺酸酯化合物的活性明显高于其氨基磺酰胺对应物。在氨基磺酸酯/氨基磺酰胺对14/15和16/17中也观察到了类似的、较大的活性差异。这些结果表明,氨基磺酰胺部分不太适合用于获得强效的碳酸酐酶抑制作用。结合已发表的X射线数据,讨论了1和6与CA-II相互作用的这种构效关系。在大鼠中用1、4、6和2进行了代谢性酸中毒研究,并就体内CA-II的抑制程度对结果进行了讨论。

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