Julio Caballero Profesor claustro

Publicaciones destacadas

• Insights into the interactions between maleimide derivates and GSK3β combining molecular docking and QSAR
  • Quesada-Romero, L.
  • Mena-Ulecia, K.
  • Tiznado, W.
  • Caballero, J.

  PLoS ONE, 2014, 9 (7)

• Performance of the MM/GBSA scoring using a binding site hydrogen bond network-based frame selection: The protein kinase case
  • Adasme-Carreño, F.
  • Muñoz-Gutierrez, C.
  • Caballero, J.
  • Alzate-Morales, J.H.

  Physical Chemistry Chemical Physics, 2014, 16 (27), pp 14047–14058

• Study of the affinity between the protein kinase PKA and peptide substrates derived from kemptide using molecular dynamics simulations and MM/GBSA
  • Mena-Ulecia, K.
  • Vergara-Jaque, A.
  • Poblete, H.
  • Tiznado, W.
  • Caballero, J.

  PLoS ONE, 2014, 9 (10)

• Ultrasound-assisted phase-transfer catalysis method in an aqueous medium to promote the Knoevenagel reaction: Advantages over the conventional and microwave-assisted solvent-free/catalyst-free method Dedicated to the memory of Professor Luis Astudillo Saavedra for his scientific career, support and fraternity.
  • De-La-Torre, P.
  • Osorio, E.
  • Alzate-Morales, J.H.
  • Caballero, J.
  • Trilleras, J.
  • Astudillo-Saavedra, L.
  • Brito, I.
  • Cárdenas, A.
  • Quiroga, J.
  • Gutiérrez, M.

  Ultrasonics Sonochemistry, 2014, 21 (5), pp 1666–1674

• In silico comparison of antimycobacterial natural products with known antituberculosis drugs
  • Espinoza-Moraga, M.
  • Njuguna, N.M.
  • Mugumbate, G.
  • Caballero, J.
  • Chibale, K.

  Journal of Chemical Information and Modeling, 2013, 53 (3), pp 649–660

• Molecular dynamics of protein kinase-inhibitor complexes: A valid structural information
  • Caballero, J.
  • Alzate-Morales, J.H.

  Current Pharmaceutical Design, 2012, 18 (20), pp 2946–2963

• 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, J.H.
  • Cunha, S.
  • Gano, L.
  • Bergmann, R.
  • Steinbach, J.
  • Kniess, T.

  European Journal of Medicinal Chemistry, 2012, 58, pp 272–280

• Genetic algorithm optimization in drug design QSAR: Bayesian-regularized genetic neural networks (BRGNN) and genetic algorithm-optimized support vectors machines (GA-SVM)
  • Fernandez, M.
  • Caballero, J.
  • Fernandez, L.
  • Sarai, A.

  Molecular Diversity, 2011, 15 (1), pp 269–289

• 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, J.H.
  • Vergara-Jaque, A.

  Journal of Chemical Information and Modeling, 2011, 51 (11), pp 2920–2931

• Computational study of the interactions between guanine derivatives and cyclin-dependent kinase 2 (CDK2) by CoMFA and QM/MM
  • Alzate-Morales, J.
  • Caballero, J.

  Journal of Chemical Information and Modeling, 2010, 50 (1), pp 110–122

• 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, J.H.
  • Vergara-Jaque, A.
  • Caballero, J.

  Journal of Chemical Information and Modeling, 2010, 50 (6), pp 1101–1112

• 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, J.H.
  • Caballero, J.
  • Jague, A.V.
  • Nilo, F.D.G.

  Journal of Chemical Information and Modeling, 2009, 49 (4), pp 886–899

• Artificial neural networks from MATLAB® in medicinal chemistry. Bayesian-regularized genetic neural networks (BRGNN): Application to the prediction of the antagonistic activity against human platelet thrombin receptor (PAR-1)
  • Caballero, J.
  • Fernández, M.

  Current Topics in Medicinal Chemistry, 2008, 8 (18), pp 1580–1605