Molecules (Basel, Switzerland) · 2017
Potent and Selective Carboxylic Acid Inhibitors of Tumor-Associated Carbonic Anhydrases IX and XII.
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Cau Ylenia, Vullo Daniela, Mori Mattia, Dreassi Elena, Supuran Claudiu T, Botta Maurizio
Аннотация
Selective inhibition of tumor-associated carbonic anhydrase (CA; EC 4.2.1.1) isoforms IX and XII is a crucial prerequisite to develop successful anticancer therapeutics. Herein, we confirmed the efficacy of the 3-nitrobenzoic acid substructure in the design of potent and selective carboxylic acid derivatives as CAs inhibitors. Compound 10 emerged as the most potent inhibitor of the tumor-associated hCA IX and XII (Ki = 16 and 82.1 nM, respectively) with a significant selectivity with respect to the wide spread hCA II. Other 3-nitrobenzoic acid derivatives showed a peculiar CA inhibition profile with a notable potency towards hCA IX.
Предметные рубрики MeSH
Amino Acid MotifsAntigens, NeoplasmAntineoplastic AgentsCarbonic Anhydrase IXCarbonic Anhydrase InhibitorsCarbonic AnhydrasesCatalytic DomainDose-Response Relationship, DrugDrug DesignHumansKineticsMolecular Docking SimulationNeoplasm ProteinsNitrobenzoatesProtein BindingProtein Conformation, alpha-HelicalProtein Conformation, beta-StrandProtein Interaction Domains and MotifsSequence AlignmentSequence Homology, Amino AcidStructure-Activity RelationshipThermodynamics