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Structure-based design and synthesis of novel non-zinc chelating MMP-12 inhibitors.
Dublanchet AC, Ducrot P, Andrianjara C, O'Gara M, Morales R, Compère D, Denis A, Blais S, Cluzeau P, Courté K, Hamon J, Moreau F, Prunet ML, Tertre A. Dublanchet AC, et al. Among authors: morales r. Bioorg Med Chem Lett. 2005 Aug 15;15(16):3787-90. doi: 10.1016/j.bmcl.2005.05.079. Bioorg Med Chem Lett. 2005. PMID: 16002291
Structural Insights into the Forward and Reverse Enzymatic Reactions in Human Adenine Phosphoribosyltransferase.
Huyet J, Ozeir M, Burgevin MC, Pinson B, Chesney F, Remy JM, Siddiqi AR, Lupoli R, Pinon G, Saint-Marc C, Gibert JF, Morales R, Ceballos-Picot I, Barouki R, Daignan-Fornier B, Olivier-Bandini A, Augé F, Nioche P. Huyet J, et al. Among authors: morales r. Cell Chem Biol. 2018 Jun 21;25(6):666-676.e4. doi: 10.1016/j.chembiol.2018.02.011. Epub 2018 Mar 22. Cell Chem Biol. 2018. PMID: 29576532 Free article.
Preparation and optimization of new 4-(morpholin-4-yl)-(6-oxo-1,6-dihydropyrimidin-2-yl)amide derivatives as PI3Kβ inhibitors.
Certal V, Halley F, Virone-Oddos A, Thompson F, Filoche-Rommé B, El-Ahmad Y, Carry JC, Delorme C, Karlsson A, Abecassis PY, Vincent L, Bonnevaux H, Nicolas JP, Morales R, Michot N, Vade I, Louboutin A, Perron S, Doerflinger G, Tric B, Monget S, Lengauer C, Schio L. Certal V, et al. Among authors: morales r. Bioorg Med Chem Lett. 2012 Oct 15;22(20):6381-4. doi: 10.1016/j.bmcl.2012.08.072. Epub 2012 Aug 25. Bioorg Med Chem Lett. 2012. PMID: 22981333
Nanomolar inhibitors of Mycobacterium tuberculosis glutamine synthetase 1: synthesis, biological evaluation and X-ray crystallographic studies.
Couturier C, Silve S, Morales R, Pessegue B, Llopart S, Nair A, Bauer A, Scheiper B, Pöverlein C, Ganzhorn A, Lagrange S, Bacqué E. Couturier C, et al. Among authors: morales r. Bioorg Med Chem Lett. 2015 Apr 1;25(7):1455-9. doi: 10.1016/j.bmcl.2015.02.035. Epub 2015 Feb 23. Bioorg Med Chem Lett. 2015. PMID: 25770781
Discovery and Optimization of a Series of Benzofuran Selective ERAP1 Inhibitors: Biochemical and In Silico Studies.
Deddouche-Grass S, Andouche C, Bärenz F, Halter C, Hohwald A, Lebrun L, Membré N, Morales R, Muzet N, Poirot M, Reynaud M, Roujean V, Weber F, Zimmermann A, Heng R, Basse N. Deddouche-Grass S, et al. Among authors: morales r. ACS Med Chem Lett. 2021 Jun 4;12(7):1137-1142. doi: 10.1021/acsmedchemlett.1c00235. eCollection 2021 Jul 8. ACS Med Chem Lett. 2021. PMID: 34267884 Free PMC article.
Structural basis for substrate selectivity and nucleophilic substitution mechanisms in human adenine phosphoribosyltransferase catalyzed reaction.
Ozeir M, Huyet J, Burgevin MC, Pinson B, Chesney F, Remy JM, Siddiqi AR, Lupoli R, Pinon G, Saint-Marc C, Gibert JF, Morales R, Ceballos-Picot I, Barouki R, Daignan-Fornier B, Olivier-Bandini A, Augé F, Nioche P. Ozeir M, et al. Among authors: morales r. J Biol Chem. 2019 Aug 9;294(32):11980-11991. doi: 10.1074/jbc.RA119.009087. Epub 2019 Jun 3. J Biol Chem. 2019. PMID: 31160323 Free PMC article.
An approach based on quantum chemistry calculations and structural analysis of a [2Fe-2S] ferredoxin that reveal a redox-linked switch in the electron-transfer process to the Fd-NADP+ reductase.
Morales R, Frey M, Mouesca JM. Morales R, et al. J Am Chem Soc. 2002 Jun 12;124(23):6714-22. doi: 10.1021/ja011680o. J Am Chem Soc. 2002. PMID: 12047191
We have analyzed by density functional theory the possible variations of the electronic properties of the [2Fe-2S] ferredoxin, from the cyanobacterium Anabaena, depending on the redox-linked structural changes observed by X-ray diffraction at atomic resolution (Morales, …
We have analyzed by density functional theory the possible variations of the electronic properties of the [2Fe-2S] ferredoxin, from the cyan …
817 results