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Insights from structure-activity relationships and the binding mode of peptidic α-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1.
Legru A, Batista FA, Puszko AK, Bouillon A, Maurel M, Martinez M, Ejjoummany A, Ortega Varga L, Adler P, Méchaly A, Hadjadj M, Sosnowski P, Hopfgartner G, Alzari PM, Blondel A, Haouz A, Barale JC, Hernandez JF. Legru A, et al. Among authors: barale jc. Eur J Med Chem. 2024 Apr 5;269:116308. doi: 10.1016/j.ejmech.2024.116308. Epub 2024 Mar 11. Eur J Med Chem. 2024. PMID: 38503166
3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived α-ketoamide inhibitor.
Martinez M, Batista FA, Maurel M, Bouillon A, Ortega Varga L, Wehenkel AM, Le Chevalier-Sontag L, Blondel A, Haouz A, Hernandez JF, Alzari PM, Barale JC. Martinez M, et al. Among authors: barale jc. Acta Crystallogr D Struct Biol. 2023 Aug 1;79(Pt 8):721-734. doi: 10.1107/S2059798323004710. Epub 2023 Jul 10. Acta Crystallogr D Struct Biol. 2023. PMID: 37428845
In Silico screening on the three-dimensional model of the Plasmodium vivax SUB1 protease leads to the validation of a novel anti-parasite compound.
Bouillon A, Giganti D, Benedet C, Gorgette O, Pêtres S, Crublet E, Girard-Blanc C, Witkowski B, Ménard D, Nilges M, Mercereau-Puijalon O, Stoven V, Barale JC. Bouillon A, et al. Among authors: barale jc. J Biol Chem. 2013 Jun 21;288(25):18561-73. doi: 10.1074/jbc.M113.456764. Epub 2013 May 7. J Biol Chem. 2013. PMID: 23653352 Free PMC article.
41 results