Méndez-Lucio O - Search Results

1

The interplay between molecular modeling and chemoinformatics to characterize protein-ligand and protein-protein interactions landscapes for drug discovery.

Medina-Franco JL, Méndez-Lucio O, Martinez-Mayorga K. Medina-Franco JL, et al. Adv Protein Chem Struct Biol. 2014;96:1-37. doi: 10.1016/bs.apcsb.2014.06.001. Epub 2014 Aug 24. Adv Protein Chem Struct Biol. 2014. PMID: 25443953 Review.

2

Computational study on the inhibition mechanism of cruzain by nitrile-containing molecules.

Méndez-Lucio O, Romo-Mancillas A, Medina-Franco JL, Castillo R. Méndez-Lucio O, et al. J Mol Graph Model. 2012 May;35:28-35. doi: 10.1016/j.jmgm.2012.01.003. Epub 2012 Jan 20. J Mol Graph Model. 2012. PMID: 22481076

3

Activity landscape modeling of PPAR ligands with dual-activity difference maps.

Méndez-Lucio O, Pérez-Villanueva J, Castillo R, Medina-Franco JL. Méndez-Lucio O, et al. Bioorg Med Chem. 2012 Jun 1;20(11):3523-32. doi: 10.1016/j.bmc.2012.04.005. Epub 2012 Apr 19. Bioorg Med Chem. 2012. PMID: 22564380

4

CASE plots for the chemotype-based activity and selectivity analysis: a CASE study of cyclooxygenase inhibitors.

Pérez-Villanueva J, Medina-Franco JL, Méndez-Lucio O, Yoo J, Soria-Arteche O, Izquierdo T, Lozada MC, Castillo R. Pérez-Villanueva J, et al. Chem Biol Drug Des. 2012 Nov;80(5):752-62. doi: 10.1111/cbdd.12019. Epub 2012 Sep 10. Chem Biol Drug Des. 2012. PMID: 22883137

5

Towards the identification of the binding site of benzimidazoles to β-tubulin of Trichinella spiralis: insights from computational and experimental data.

Aguayo-Ortiz R, Méndez-Lucio O, Medina-Franco JL, Castillo R, Yépez-Mulia L, Hernández-Luis F, Hernández-Campos A. Aguayo-Ortiz R, et al. J Mol Graph Model. 2013 Apr;41:12-9. doi: 10.1016/j.jmgm.2013.01.007. Epub 2013 Feb 9. J Mol Graph Model. 2013. PMID: 23454612

6

Molecular basis for benzimidazole resistance from a novel β-tubulin binding site model.

Aguayo-Ortiz R, Méndez-Lucio O, Romo-Mancillas A, Castillo R, Yépez-Mulia L, Medina-Franco JL, Hernández-Campos A. Aguayo-Ortiz R, et al. J Mol Graph Model. 2013 Sep;45:26-37. doi: 10.1016/j.jmgm.2013.07.008. Epub 2013 Aug 13. J Mol Graph Model. 2013. PMID: 23995453

7

Toward drug repurposing in epigenetics: olsalazine as a hypomethylating compound active in a cellular context.

Méndez-Lucio O, Tran J, Medina-Franco JL, Meurice N, Muller M. Méndez-Lucio O, et al. ChemMedChem. 2014 Mar;9(3):560-5. doi: 10.1002/cmdc.201300555. Epub 2014 Jan 31. ChemMedChem. 2014. PMID: 24482360

8

Rationalization of activity cliffs of a sulfonamide inhibitor of DNA methyltransferases with induced-fit docking.

Medina-Franco JL, Méndez-Lucio O, Yoo J. Medina-Franco JL, et al. Int J Mol Sci. 2014 Feb 21;15(2):3253-61. doi: 10.3390/ijms15023253. Int J Mol Sci. 2014. PMID: 24566147 Free PMC article.

9

Discovery and development of DNA methyltransferase inhibitors using in silico approaches.

Medina-Franco JL, Méndez-Lucio O, Dueñas-González A, Yoo J. Medina-Franco JL, et al. Drug Discov Today. 2015 May;20(5):569-77. doi: 10.1016/j.drudis.2014.12.007. Epub 2014 Dec 16. Drug Discov Today. 2015. PMID: 25526932 Review.

10

Analyzing multitarget activity landscapes using protein-ligand interaction fingerprints: interaction cliffs.

Méndez-Lucio O, Kooistra AJ, de Graaf C, Bender A, Medina-Franco JL. Méndez-Lucio O, et al. J Chem Inf Model. 2015 Feb 23;55(2):251-62. doi: 10.1021/ci500721x. Epub 2015 Feb 6. J Chem Inf Model. 2015. PMID: 25615841

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