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Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Ruiz FX, Cousido-Siah A, Porté S, Domínguez M, Crespo I, Rechlin C, Mitschler A, de Lera ÁR, Martín MJ, de la Fuente JÁ, Klebe G, Parés X, Farrés J, Podjarny A. Ruiz FX, et al. Among authors: mitschler a. ChemMedChem. 2015 Dec;10(12):1989-2003. doi: 10.1002/cmdc.201500393. Epub 2015 Nov 9. ChemMedChem. 2015. PMID: 26549844
Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase.
Crespo I, Giménez-Dejoz J, Porté S, Cousido-Siah A, Mitschler A, Podjarny A, Pratsinis H, Kletsas D, Parés X, Ruiz FX, Metwally K, Farrés J. Crespo I, et al. Among authors: mitschler a. Eur J Med Chem. 2018 May 25;152:160-174. doi: 10.1016/j.ejmech.2018.04.015. Epub 2018 Apr 12. Eur J Med Chem. 2018. PMID: 29705708
Modulation of aldose reductase inhibition by halogen bond tuning.
Fanfrlík J, Kolář M, Kamlar M, Hurný D, Ruiz FX, Cousido-Siah A, Mitschler A, Rezáč J, Munusamy E, Lepšík M, Matějíček P, Veselý J, Podjarny A, Hobza P. Fanfrlík J, et al. Among authors: mitschler a. ACS Chem Biol. 2013 Nov 15;8(11):2484-92. doi: 10.1021/cb400526n. Epub 2013 Sep 17. ACS Chem Biol. 2013. PMID: 23988122
Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Cousido-Siah A, Ruiz FX, Mitschler A, Porté S, de Lera ÁR, Martín MJ, Manzanaro S, de la Fuente JA, Terwesten F, Betz M, Klebe G, Farrés J, Parés X, Podjarny A. Cousido-Siah A, et al. Among authors: mitschler a. Acta Crystallogr D Biol Crystallogr. 2014 Mar;70(Pt 3):889-903. doi: 10.1107/S1399004713033452. Epub 2014 Feb 27. Acta Crystallogr D Biol Crystallogr. 2014. PMID: 24598757
New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Fadel F, Zhao Y, Cachau R, Cousido-Siah A, Ruiz FX, Harlos K, Howard E, Mitschler A, Podjarny A. Fadel F, et al. Among authors: mitschler a. Acta Crystallogr D Biol Crystallogr. 2015 Jul;71(Pt 7):1455-70. doi: 10.1107/S139900471500783X. Epub 2015 Jun 30. Acta Crystallogr D Biol Crystallogr. 2015. PMID: 26143917
84 results