Cruz-Monteagudo M - Search Results

1

From flamingo dance to (desirable) drug discovery: a nature-inspired approach.

Sánchez-Rodríguez A, Pérez-Castillo Y, Schürer SC, Nicolotti O, Mangiatordi GF, Borges F, Cordeiro MNDS, Tejera E, Medina-Franco JL, Cruz-Monteagudo M. Sánchez-Rodríguez A, et al. Among authors: cruz monteagudo m. Drug Discov Today. 2017 Oct;22(10):1489-1502. doi: 10.1016/j.drudis.2017.05.008. Epub 2017 Jun 15. Drug Discov Today. 2017. PMID: 28624633 Free PMC article. Review.

2

Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?

Cruz-Monteagudo M, Medina-Franco JL, Pérez-Castillo Y, Nicolotti O, Cordeiro MN, Borges F. Cruz-Monteagudo M, et al. Drug Discov Today. 2014 Aug;19(8):1069-80. doi: 10.1016/j.drudis.2014.02.003. Epub 2014 Feb 20. Drug Discov Today. 2014. PMID: 24560935

3

Systemic QSAR and phenotypic virtual screening: chasing butterflies in drug discovery.

Cruz-Monteagudo M, Schürer S, Tejera E, Pérez-Castillo Y, Medina-Franco JL, Sánchez-Rodríguez A, Borges F. Cruz-Monteagudo M, et al. Drug Discov Today. 2017 Jul;22(7):994-1007. doi: 10.1016/j.drudis.2017.02.004. Epub 2017 Mar 6. Drug Discov Today. 2017. PMID: 28274840 Free PMC article. Review.

4

A desirability-based multi objective approach for the virtual screening discovery of broad-spectrum anti-gastric cancer agents.

Perez-Castillo Y, Sánchez-Rodríguez A, Tejera E, Cruz-Monteagudo M, Borges F, Cordeiro MNDS, Le-Thi-Thu H, Pham-The H. Perez-Castillo Y, et al. Among authors: cruz monteagudo m. PLoS One. 2018 Feb 8;13(2):e0192176. doi: 10.1371/journal.pone.0192176. eCollection 2018. PLoS One. 2018. PMID: 29420638 Free PMC article.

5

Cell fishing: A similarity based approach and machine learning strategy for multiple cell lines-compound sensitivity prediction.

Tejera E, Carrera I, Jimenes-Vargas K, Armijos-Jaramillo V, Sánchez-Rodríguez A, Cruz-Monteagudo M, Perez-Castillo Y. Tejera E, et al. Among authors: cruz monteagudo m. PLoS One. 2019 Oct 7;14(10):e0223276. doi: 10.1371/journal.pone.0223276. eCollection 2019. PLoS One. 2019. PMID: 31589649 Free PMC article.

6

Computational chemistry approach for the early detection of drug-induced idiosyncratic liver toxicity.

Cruz-Monteagudo M, Cordeiro MN, Borges F. Cruz-Monteagudo M, et al. J Comput Chem. 2008 Mar;29(4):533-49. doi: 10.1002/jcc.20812. J Comput Chem. 2008. PMID: 17705164

7

Desirability-based multiobjective optimization for global QSAR studies: application to the design of novel NSAIDs with improved analgesic, antiinflammatory, and ulcerogenic profiles.

Cruz-Monteagudo M, Borges F, Cordeiro MN. Cruz-Monteagudo M, et al. J Comput Chem. 2008 Nov 15;29(14):2445-59. doi: 10.1002/jcc.20994. J Comput Chem. 2008. PMID: 18452123

8

Jointly handling potency and toxicity of antimicrobial peptidomimetics by simple rules from desirability theory and chemoinformatics.

Cruz-Monteagudo M, Borges F, Cordeiro MN. Cruz-Monteagudo M, et al. J Chem Inf Model. 2011 Dec 27;51(12):3060-77. doi: 10.1021/ci2002186. Epub 2011 Dec 9. J Chem Inf Model. 2011. PMID: 22117848

9

Desirability-based multi-objective QSAR in drug discovery.

Cruz-Monteagudo M, Cordeiro MN, Tejera E, Dominguez ER, Borges F. Cruz-Monteagudo M, et al. Mini Rev Med Chem. 2012 Sep 1;12(10):920-35. doi: 10.2174/138955712802762329. Mini Rev Med Chem. 2012. PMID: 22420570 Review.

10

Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands.

Castillo-González D, Mergny JL, De Rache A, Pérez-Machado G, Cabrera-Pérez MA, Nicolotti O, Introcaso A, Mangiatordi GF, Guédin A, Bourdoncle A, Garrigues T, Pallardó F, Cordeiro MN, Paz-Y-Miño C, Tejera E, Borges F, Cruz-Monteagudo M. Castillo-González D, et al. J Chem Inf Model. 2015 Oct 26;55(10):2094-110. doi: 10.1021/acs.jcim.5b00415. Epub 2015 Sep 18. J Chem Inf Model. 2015. PMID: 26355653

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