Inhibition of Human DHODH by 4??Hydroxycoumarins, Fenamic Acids, and N??(Alkylcarbonyl) anthranilic Acids Identified by Structure??Guided Fragment Selection

I Fritzson, B Svensson, S Al??Karadaghi…

文献索引：Fritzson, Ingela; Svensson, Bo; Al-Karadaghi, Salam; Walse, Bjoern; Wellmar, Ulf; Nilsson, Ulf J.; Da Graca Thrige, Dorthe; Joensson, Stig ChemMedChem, 2010 , vol. 5, # 4 p. 608 - 617

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被引用次数: 15

摘要

Abstract A strategy that combines virtual screening and structure-guided selection of fragments was used to identify three unexplored classes of human DHODH inhibitor compounds: 4-hydroxycoumarins, fenamic acids, and N-(alkylcarbonyl) anthranilic acids. Structure-guided selection of fragments targeting the inner subsite of the DHODH ubiquinone binding site made these findings possible with screening of fewer than 300 ...