Cell chemical biology · 2018
Target Identification and Mechanism of Action of Picolinamide and Benzamide Chemotypes with Antifungal Properties.
СтатьяПоддержка NIH: внешняя программаПоддержка исследования: вне правительства СШАНазвание и аннотация: Перевод пока не подготовлен
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Pries Verena, Nöcker Christina, Khan Danish, Johnen Philipp, Hong Zebin, Tripathi Ashutosh, Keller Anna-Lena, Fitz Michael, Perruccio Francesca, Filipuzzi Ireos, Thavam Sasikala, Aust Thomas, Riedl Ralph, Ziegler Slava, Bono Fulvia, Schaaf Gabriel, Bankaitis Vytas A, Waldmann Herbert, Hoepfner Dominic
Аннотация
Invasive fungal infections are accompanied by high mortality rates that range up to 90%. At present, only three different compound classes are available for use in the clinic, and these often suffer from low bioavailability, toxicity, and drug resistance. These issues emphasize an urgent need for novel antifungal agents. Herein, we report the identification of chemically versatile benzamide and picolinamide scaffolds with antifungal properties. Chemogenomic profiling and biochemical assays with purified protein identified Sec14p, the major phosphatidylinositol/phosphatidylcholine transfer protein in Saccharomyces cerevisiae, as the sole essential target for these compounds. A functional variomics screen identified resistance-conferring residues that localized to the lipid-binding pocket of Sec14p. Determination of the X-ray co-crystal structure of a Sec14p-compound complex confirmed binding in this cavity and rationalized both the resistance-conferring residues and the observed structure-activity relationships. Taken together, these findings open new avenues for rational compound optimization and development of novel antifungal agents.
Предметные рубрики MeSH
AmidesAmino Acid SequenceAntifungal AgentsAspergillusBenzamidesBinding SitesCandida albicansCrystallography, X-RayDrug Resistance, FungalMicrobial Sensitivity TestsMolecular Dynamics SimulationMutagenesis, Site-DirectedPhospholipid Transfer ProteinsPicolinic AcidsProtein Structure, TertiarySaccharomyces cerevisiaeSaccharomyces cerevisiae ProteinsSequence AlignmentStructure-Activity Relationship