Optimization of Triazine Nitriles as Rhodesain Inhibitors: Structure–Activity Relationships, Bioisosteric Imidazopyridine Nitriles, and X??ray Crystal Structure Analysis …

…, C Freymond, T Schirmeister, F Diederich

文献索引：Ehmke, Veronika; Winkler, Edwin; Banner, David W.; Haap, Wolfgang; Schweizer, W. Bernd; Rottmann, Matthias; Kaiser, Marcel; Freymond, Celine; Schirmeister, Tanja; Diederich, Francois ChemMedChem, 2013 , vol. 8, # 6 p. 967 - 975

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被引用次数: 8

摘要

Abstract The cysteine protease rhodesain of Trypanosoma brucei parasites causing African sleeping sickness has emerged as a target for the development of new drug candidates. Based on a triazine nitrile moiety as electrophilic headgroup, optimization studies on the substituents for the S1, S2, and S3 pockets of the enzyme were performed using structure- based design and resulted in inhibitors with inhibition constants in the single-digit ...