Journal of Enzyme Inhibition and Medicinal Chemistry · 2011 · 48 citations · 47 references
PharmacyMedicinal ChemistryPharmacologyDrug DesignEnzymologyStructure-activity RelationshipsEnzyme InhibitionLigand BindingLigand-based DesignStructure-activity Relationship AnalysisAnti-glaucoma PharmacotherapyCarbonic Anhydrase InhibitorsInhibitor ScreeningStructure-activity Relationship Modeling
Carbonic anhydrase inhibitors (CAI) are valuable molecules as they have several therapeutic applications, including anti-glaucoma activity. In this study, inhibition of three human carbonic anhydrase (hCA, EC 4.2.1.1) isozymes I, II and VI with a series of bisphenol and bromophenol derivatives was investigated. Molecular docking studies of a set of such inhibitors within CA I and II were also performed. K(I) values of the molecules 2-9 were in the range of 10.025-892.109 μM for hCA I, 1.437-59.107 μM for hCA II and 11.143-919.182 μM for hCA VI, respectively. Reported inhibitory activities of molecules 2-9 will assist in better understanding of structure-activity relationship studies of CAI.
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