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Items: 1 to 20 of 27

1.

Towards understanding polyol additive effects on the pH shift-induced aggregation of a monoclonal antibody using high throughput screening and quantitative structure-activity modeling.

Oyetayo OO, Méndez-Lucio O, Bender A, Kiefer H.

Int J Pharm. 2017 Sep 15;530(1-2):165-172. doi: 10.1016/j.ijpharm.2017.07.059. Epub 2017 Jul 25.

PMID:
28754511
2.

Activity Landscape Plotter: A Web-Based Application for the Analysis of Structure-Activity Relationships.

González-Medina M, Méndez-Lucio O, Medina-Franco JL.

J Chem Inf Model. 2017 Mar 27;57(3):397-402. doi: 10.1021/acs.jcim.6b00776. Epub 2017 Mar 2.

PMID:
28234475
3.

Diversity selection, screening and quantitative structure-activity relationships of osmolyte-like additive effects on the thermal stability of a monoclonal antibody.

Oyetayo OO, Méndez-Lucio O, Bender A, Kiefer H.

Eur J Pharm Sci. 2017 Jan 15;97:151-157. doi: 10.1016/j.ejps.2016.11.016. Epub 2016 Nov 16.

PMID:
27866015
4.

Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening.

Paricharak S, Méndez-Lucio O, Chavan Ravindranath A, Bender A, IJzerman AP, van Westen GJP.

Brief Bioinform. 2018 Mar 1;19(2):277-285. doi: 10.1093/bib/bbw105. Review.

5.

The many roles of molecular complexity in drug discovery.

Méndez-Lucio O, Medina-Franco JL.

Drug Discov Today. 2017 Jan;22(1):120-126. doi: 10.1016/j.drudis.2016.08.009. Epub 2016 Aug 26. Review.

PMID:
27575998
6.

Synthesis, Screening and in silico Simulations of Anti-Parasitic Propamidine/Benzimidazole Derivatives.

Mendez-Cuesta CA, Herrera-Rueda MA, Hidalgo-Figueroa S, Tlahuext H, Moo-Puc R, Chale-Dzul JB, Chan-Bacab M, Ortega-Morales BO, Hernandez-Nunez E, Mendez-Lucio O, Medina-Franco JL, Navarrete-Vazquez G.

Med Chem. 2017;13(2):137-148. doi: 10.2174/1573406412666160811112408.

PMID:
27527618
7.

Chemoinformatic expedition of the chemical space of fungal products.

González-Medina M, Prieto-Martínez FD, Naveja JJ, Méndez-Lucio O, El-Elimat T, Pearce CJ, Oberlies NH, Figueroa M, Medina-Franco JL.

Future Med Chem. 2016 Aug;8(12):1399-412. doi: 10.4155/fmc-2016-0079. Epub 2016 Aug 3. Erratum in: Future Med Chem. 2016 Nov;8(17 ):2167.

8.

Statistical correlation of nonconservative substitutions of HIV gp41 variable amino acid residues with the R5X4 HIV-1 phenotype.

Pacheco-Martínez E, Figueroa-Medina E, Villarreal C, Cocho G, Medina-Franco JL, Méndez-Lucio O, Huerta L.

Virol J. 2016 Feb 16;13:28. doi: 10.1186/s12985-016-0486-6.

9.

ARWAR: A network approach for predicting Adverse Drug Reactions.

Rahmani H, Weiss G, Méndez-Lucio O, Bender A.

Comput Biol Med. 2016 Jan 1;68:101-8. doi: 10.1016/j.compbiomed.2015.11.005. Epub 2015 Nov 23.

PMID:
26638149
10.

Design, synthesis and evaluation of semi-synthetic triazole-containing caffeic acid analogues as 5-lipoxygenase inhibitors.

De Lucia D, Lucio OM, Musio B, Bender A, Listing M, Dennhardt S, Koeberle A, Garscha U, Rizzo R, Manfredini S, Werz O, Ley SV.

Eur J Med Chem. 2015 Aug 28;101:573-83. doi: 10.1016/j.ejmech.2015.07.011. Epub 2015 Jul 15. Erratum in: Eur J Med Chem. 2015 Oct 20;103:223-5.

PMID:
26197161
11.

Activity cliffs and activity cliff generators based on chemotype-related activity landscapes.

Pérez-Villanueva J, Méndez-Lucio O, Soria-Arteche O, Medina-Franco JL.

Mol Divers. 2015 Nov;19(4):1021-35. doi: 10.1007/s11030-015-9609-z. Epub 2015 Jul 7.

PMID:
26150300
12.

Activity and property landscape modeling is at the interface of chemoinformatics and medicinal chemistry.

Medina-Franco JL, Navarrete-Vázquez G, Méndez-Lucio O.

Future Med Chem. 2015;7(9):1197-211. doi: 10.4155/fmc.15.51. Review.

PMID:
26132526
13.

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

Méndez-Lucio O, Kooistra AJ, de Graaf C, Bender A, Medina-Franco JL.

J Chem Inf Model. 2015 Feb 23;55(2):251-62. doi: 10.1021/ci500721x. Epub 2015 Feb 6.

PMID:
25615841
14.

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

Medina-Franco JL, Méndez-Lucio O, Dueñas-González A, Yoo J.

Drug Discov Today. 2015 May;20(5):569-77. doi: 10.1016/j.drudis.2014.12.007. Epub 2014 Dec 16. Review.

PMID:
25526932
15.

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.

Adv Protein Chem Struct Biol. 2014;96:1-37. doi: 10.1016/bs.apcsb.2014.06.001. Epub 2014 Aug 24. Review.

PMID:
25443953
16.

Modelling ligand selectivity of serine proteases using integrative proteochemometric approaches improves model performance and allows the multi-target dependent interpretation of features.

Ain QU, Méndez-Lucio O, Ciriano IC, Malliavin T, van Westen GJ, Bender A.

Integr Biol (Camb). 2014 Nov;6(11):1023-33. doi: 10.1039/c4ib00175c.

PMID:
25255469
17.

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

Medina-Franco JL, Méndez-Lucio O, Yoo J.

Int J Mol Sci. 2014 Feb 21;15(2):3253-61. doi: 10.3390/ijms15023253.

18.

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.

ChemMedChem. 2014 Mar;9(3):560-5. doi: 10.1002/cmdc.201300555. Epub 2014 Jan 31.

PMID:
24482360
19.

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.

J Mol Graph Model. 2013 Sep;45:26-37. doi: 10.1016/j.jmgm.2013.07.008. Epub 2013 Aug 13.

PMID:
23995453
20.

Synthesis and antiprotozoal activity of novel 2-{[2-(1H-imidazol-1-yl)ethyl]sulfanyl}-1H-benzimidazole derivatives.

Pérez-Villanueva J, Hernández-Campos A, Yépez-Mulia L, Méndez-Cuesta C, Méndez-Lucio O, Hernández-Luis F, Castillo R.

Bioorg Med Chem Lett. 2013 Jul 15;23(14):4221-4. doi: 10.1016/j.bmcl.2013.05.012. Epub 2013 May 15.

PMID:
23731944

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