Gago F - Search Results

1

Molecular recognition of epothilones by microtubules and tubulin dimers revealed by biochemical and NMR approaches.

Canales A, Nieto L, Rodríguez-Salarichs J, Sánchez-Murcia PA, Coderch C, Cortés-Cabrera A, Paterson I, Carlomagno T, Gago F, Andreu JM, Altmann KH, Jiménez-Barbero J, Díaz JF. Canales A, et al. Among authors: gago f. ACS Chem Biol. 2014 Apr 18;9(4):1033-43. doi: 10.1021/cb400673h. Epub 2014 Feb 25. ACS Chem Biol. 2014. PMID: 24524625 Free article.

2

Optimization of taxane binding to microtubules: binding affinity dissection and incremental construction of a high-affinity analog of paclitaxel.

Matesanz R, Barasoain I, Yang CG, Wang L, Li X, de Inés C, Coderch C, Gago F, Barbero JJ, Andreu JM, Fang WS, Díaz JF. Matesanz R, et al. Among authors: gago f. Chem Biol. 2008 Jun;15(6):573-85. doi: 10.1016/j.chembiol.2008.05.008. Chem Biol. 2008. PMID: 18559268

3

Identification of aldo-keto reductase AKR1B10 as a selective target for modification and inhibition by prostaglandin A(1): implications for antitumoral activity.

Díez-Dacal B, Gayarre J, Gharbi S, Timms JF, Coderch C, Gago F, Pérez-Sala D. Díez-Dacal B, et al. Among authors: gago f. Cancer Res. 2011 Jun 15;71(12):4161-71. doi: 10.1158/0008-5472.CAN-10-3816. Epub 2011 Apr 20. Cancer Res. 2011. PMID: 21507934 Free article.

4

Tubulin-based structure-affinity relationships for antimitotic Vinca alkaloids.

Coderch C, Morreale A, Gago F. Coderch C, et al. Among authors: gago f. Anticancer Agents Med Chem. 2012 Mar;12(3):219-25. doi: 10.2174/187152012800228841. Anticancer Agents Med Chem. 2012. PMID: 22044006

5

Mechanistic insight into the catalytic activity of ββα-metallonucleases from computer simulations: Vibrio vulnificus periplasmic nuclease as a test case.

Bueren-Calabuig JA, Coderch C, Rico E, Jiménez-Ruiz A, Gago F. Bueren-Calabuig JA, et al. Among authors: gago f. Chembiochem. 2011 Nov 25;12(17):2615-22. doi: 10.1002/cbic.201100485. Epub 2011 Oct 6. Chembiochem. 2011. PMID: 22114054

6

A reverse combination of structure-based and ligand-based strategies for virtual screening.

Cortés-Cabrera A, Gago F, Morreale A. Cortés-Cabrera A, et al. Among authors: gago f. J Comput Aided Mol Des. 2012 Mar;26(3):319-27. doi: 10.1007/s10822-012-9558-x. Epub 2012 Mar 7. J Comput Aided Mol Des. 2012. PMID: 22395903

7

Comparative binding energy (COMBINE) analysis supports a proposal for the binding mode of epothilones to β-tubulin.

Coderch C, Klett J, Morreale A, Fernando Díaz J, Gago F. Coderch C, et al. Among authors: gago f. ChemMedChem. 2012 May;7(5):836-43. doi: 10.1002/cmdc.201200065. Epub 2012 Mar 16. ChemMedChem. 2012. PMID: 22431398

8

CRDOCK: an ultrafast multipurpose protein-ligand docking tool.

Cortés Cabrera Á, Klett J, Dos Santos HG, Perona A, Gil-Redondo R, Francis SM, Priego EM, Gago F, Morreale A. Cortés Cabrera Á, et al. Among authors: gago f. J Chem Inf Model. 2012 Aug 27;52(8):2300-9. doi: 10.1021/ci300194a. Epub 2012 Jul 19. J Chem Inf Model. 2012. PMID: 22764680

9

AtlasCBS: a web server to map and explore chemico-biological space.

Cortés-Cabrera A, Morreale A, Gago F, Abad-Zapatero C. Cortés-Cabrera A, et al. Among authors: gago f. J Comput Aided Mol Des. 2012 Sep;26(9):995-1003. doi: 10.1007/s10822-012-9587-5. Epub 2012 Jul 14. J Comput Aided Mol Des. 2012. PMID: 22798082

10

Comparative binding energy COMBINE analysis for understanding the binding determinants of type II dehydroquinase inhibitors.

Peón A, Coderch C, Gago F, González-Bello C. Peón A, et al. Among authors: gago f. ChemMedChem. 2013 May;8(5):740-7. doi: 10.1002/cmdc.201300013. Epub 2013 Mar 1. ChemMedChem. 2013. PMID: 23450741

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