Alzate-Morales JH - Search Results

1

The pH sensor of the plant K+-uptake channel KAT1 is built from a sensory cloud rather than from single key amino acids.

González W, Riedelsberger J, Morales-Navarro SE, Caballero J, Alzate-Morales JH, González-Nilo FD, Dreyer I. González W, et al. Biochem J. 2012 Feb 15;442(1):57-63. doi: 10.1042/BJ20111498. Biochem J. 2012. PMID: 22070190

2

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. J Chem Inf Model. 2009 Apr;49(4):886-99. doi: 10.1021/ci8004034. J Chem Inf Model. 2009. PMID: 19323453

3

Computational study of the interactions between guanine derivatives and cyclin-dependent kinase 2 (CDK2) by CoMFA and QM/MM.

Alzate-Morales J, Caballero J. Alzate-Morales J, et al. J Chem Inf Model. 2010 Jan;50(1):110-22. doi: 10.1021/ci900302z. J Chem Inf Model. 2010. PMID: 20030297

4

Computational study on the interaction of N1 substituted pyrazole derivatives with B-raf kinase: an unusual water wire hydrogen-bond network and novel interactions at the entrance of the active site.

Alzate-Morales JH, Vergara-Jaque A, Caballero J. Alzate-Morales JH, et al. J Chem Inf Model. 2010 Jun 28;50(6):1101-12. doi: 10.1021/ci100049h. J Chem Inf Model. 2010. PMID: 20524689

5

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

6

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

7

Study of differences in the VEGFR2 inhibitory activities between semaxanib and SU5205 using 3D-QSAR, docking, and molecular dynamics simulations.

Muñoz C, Adasme F, Alzate-Morales JH, Vergara-Jaque A, Kniess T, Caballero J. Muñoz C, et al. J Mol Graph Model. 2012 Feb;32:39-48. doi: 10.1016/j.jmgm.2011.10.005. Epub 2011 Oct 20. J Mol Graph Model. 2012. PMID: 22070999

8

Molecular dynamics of protein kinase-inhibitor complexes: a valid structural information.

Caballero J, Alzate-Morales JH. Caballero J, et al. Curr Pharm Des. 2012;18(20):2946-63. doi: 10.2174/138161212800672705. Curr Pharm Des. 2012. PMID: 22571663 Review.

9

A novel class of selective acetylcholinesterase inhibitors: synthesis and evaluation of (E)-2-(benzo[d]thiazol-2-yl)-3-heteroarylacrylonitriles.

de la Torre P, Saavedra LA, Caballero J, Quiroga J, Alzate-Morales JH, Cabrera MG, Trilleras J. de la Torre P, et al. Molecules. 2012 Oct 15;17(10):12072-85. doi: 10.3390/molecules171012072. Molecules. 2012. PMID: 23085657 Free PMC article.

10

Synthesis, in silico, in vitro, and in vivo investigation of 5-[¹¹C]methoxy-substituted sunitinib, a tyrosine kinase inhibitor of VEGFR-2.

Caballero J, Muñoz C, Alzate-Morales JH, Cunha S, Gano L, Bergmann R, Steinbach J, Kniess T. Caballero J, et al. Among authors: alzate morales jh. Eur J Med Chem. 2012 Dec;58:272-80. doi: 10.1016/j.ejmech.2012.10.020. Epub 2012 Oct 23. Eur J Med Chem. 2012. PMID: 23131541

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