Document Report Card

ID: ALA1135997

Journal: J Med Chem

Title: Nonaromatic sulfonamide group as an ideal anchor for potent human carbonic anhydrase inhibitors: role of hydrogen-bonding networks in ligand binding and drug design.

Authors: Abbate F, Supuran CT, Scozzafava A, Orioli P, Stubbs MT, Klebe G.

Abstract: X-ray crystal structures of the adducts of human carbonic anhydrase (hCA) isozyme II with derivatives incorporating a sulfamide or sulfamic acid moiety are reported. The absence of a C-SO(2)NH(2) bond in the first type of compound can be exploited for the design of more potent and selective CA inhibitors. This study also explains why sulfate is a several-orders-of-magnitude weaker CA inhibitor compared to derivatives incorporating sulfonamide/sulfamide moieties.

CiteXplore: 12166931

DOI: 10.1021/jm011131t