Caballero J - Search Results

1

Insights into the Structural Requirements of 2(S)-Amino-6-Boronohexanoic Acid Derivatives as Arginase I Inhibitors: 3D-QSAR, Docking, and Interaction Fingerprint Studies.

Velázquez-Libera JL, Navarro-Retamal C, Caballero J. Velázquez-Libera JL, et al. Among authors: caballero j. Int J Mol Sci. 2018 Sep 28;19(10):2956. doi: 10.3390/ijms19102956. Int J Mol Sci. 2018. PMID: 30274146 Free PMC article.

2

Structural requirements of pyrido[2,3-d]pyrimidin-7-one as CDK4/D inhibitors: 2D autocorrelation, CoMFA and CoMSIA analyses.

Caballero J, Fernández M, González-Nilo FD. Caballero J, et al. Bioorg Med Chem. 2008 Jun 1;16(11):6103-15. doi: 10.1016/j.bmc.2008.04.048. Epub 2008 Apr 25. Bioorg Med Chem. 2008. PMID: 18468903

3

Insights into the structural basis of N2 and O6 substituted guanine derivatives as cyclin-dependent kinase 2 (CDK2) inhibitors: prediction of the binding modes and potency of the inhibitors by docking and ONIOM calculations.

Alzate-Morales JH, Caballero J, Vergara Jague A, González Nilo FD. Alzate-Morales JH, et al. Among authors: caballero j. J Chem Inf Model. 2009 Apr;49(4):886-99. doi: 10.1021/ci8004034. J Chem Inf Model. 2009. PMID: 19323453

4

Docking and quantitative structure-activity relationship studies for sulfonyl hydrazides as inhibitors of cytosolic human branched-chain amino acid aminotransferase.

Caballero J, Vergara-Jaque A, Fernández M, Coll D. Caballero J, et al. Mol Divers. 2009 Nov;13(4):493-500. doi: 10.1007/s11030-009-9140-1. Epub 2009 Apr 7. Mol Divers. 2009. PMID: 19350404

5

3D-QSAR (CoMFA and CoMSIA) and pharmacophore (GALAHAD) studies on the differential inhibition of aldose reductase by flavonoid compounds.

Caballero J. Caballero J. J Mol Graph Model. 2010 Nov;29(3):363-71. doi: 10.1016/j.jmgm.2010.08.005. Epub 2010 Sep 21. J Mol Graph Model. 2010. PMID: 20863730

6

Quantitative structure-activity relationship of organosulphur compounds as soybean 15-lipoxygenase inhibitors using CoMFA and CoMSIA.

Caballero J, Fernández M, Coll D. Caballero J, et al. Chem Biol Drug Des. 2010 Dec;76(6):511-7. doi: 10.1111/j.1747-0285.2010.01039.x. Epub 2010 Oct 11. Chem Biol Drug Des. 2010. PMID: 21040497

7

Insights into the structure of urea-like compounds as inhibitors of the juvenile hormone epoxide hydrolase (JHEH) of the tobacco hornworm Manduca sexta: analysis of the binding modes and structure-activity relationships of the inhibitors by docking and CoMFA calculations.

Garriga M, Caballero J. Garriga M, et al. Among authors: caballero j. Chemosphere. 2011 Mar;82(11):1604-13. doi: 10.1016/j.chemosphere.2010.11.048. Epub 2010 Dec 4. Chemosphere. 2011. PMID: 21134691

8

Docking and quantitative structure-activity relationship studies for 3-fluoro-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yloxy)aniline, 3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline, and 4-(4-amino-2-fluorophenoxy)-2-pyridinylamine derivatives as c-Met kinase inhibitors.

Caballero J, Quiliano M, Alzate-Morales JH, Zimic M, Deharo E. Caballero J, et al. J Comput Aided Mol Des. 2011 Apr;25(4):349-69. doi: 10.1007/s10822-011-9425-1. Epub 2011 Apr 13. J Comput Aided Mol Des. 2011. PMID: 21487786

9

Binding studies and quantitative structure-activity relationship of 3-amino-1H-indazoles as inhibitors of GSK3β.

Caballero J, Zilocchi S, Tiznado W, Collina S, Rossi D. Caballero J, et al. Chem Biol Drug Des. 2011 Oct;78(4):631-41. doi: 10.1111/j.1747-0285.2011.01186.x. Epub 2011 Aug 25. Chem Biol Drug Des. 2011. PMID: 21756288

10

Investigation of the differences in activity between hydroxycycloalkyl N1 substituted pyrazole derivatives as inhibitors of B-Raf kinase by using docking, molecular dynamics, QM/MM, and fragment-based de novo design: study of binding mode of diastereomer compounds.

Caballero J, Alzate-Morales JH, Vergara-Jaque A. Caballero J, et al. J Chem Inf Model. 2011 Nov 28;51(11):2920-31. doi: 10.1021/ci200306w. Epub 2011 Oct 31. J Chem Inf Model. 2011. PMID: 22011048

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