Cabrera-Pérez MA - Search Results

1

Computational tools in the discovery of new G-quadruplex ligands with potential anticancer activity.

Castillo-González D, Pérez-Machado G, Pallardó F, Garrigues-Pelufo TM, Cabrera-Pérez MA. Castillo-González D, et al. Curr Top Med Chem. 2012;12(24):2843-56. doi: 10.2174/1568026611212240010. Curr Top Med Chem. 2012. PMID: 23368106 Review.

2

In silico prediction of central nervous system activity of compounds. Identification of potential pharmacophores by the TOPS-MODE approach.

Cabrera Pérez MA, Sanz MB. Cabrera Pérez MA, et al. Bioorg Med Chem. 2004 Nov 15;12(22):5833-43. doi: 10.1016/j.bmc.2004.08.038. Bioorg Med Chem. 2004. PMID: 15498659

3

A topological substructural approach applied to the computational prediction of rodent carcinogenicity.

Helguera AM, Cabrera Pérez MA, González MP, Ruiz RM, González Díaz H. Helguera AM, et al. Bioorg Med Chem. 2005 Apr 1;13(7):2477-88. doi: 10.1016/j.bmc.2005.01.035. Bioorg Med Chem. 2005. PMID: 15755650

4

Prediction of telomerase inhibitory activity for acridinic derivatives based on chemical structure.

Castillo-González D, Cabrera-Pérez MA, Pérez-González M, Morales Helguera A, Durán-Martínez A. Castillo-González D, et al. Eur J Med Chem. 2009 Dec;44(12):4826-40. doi: 10.1016/j.ejmech.2009.07.029. Epub 2009 Aug 6. Eur J Med Chem. 2009. PMID: 19726112

5

Combining molecular docking and QSAR studies for modelling the antigyrase activity of cyclothialidine derivatives.

Saíz-Urra L, Cabrera Pérez MÁ, Helguera AM, Froeyen M. Saíz-Urra L, et al. Eur J Med Chem. 2011 Jul;46(7):2736-47. doi: 10.1016/j.ejmech.2011.03.061. Epub 2011 Apr 5. Eur J Med Chem. 2011. PMID: 21530019

6

FDA-approved drugs selected using virtual screening bind specifically to G-quadruplex DNA.

Castillo-González D, Pérez-Machado G, Guédin A, Mergny JL, Cabrera-Pérez MA. Castillo-González D, et al. Curr Pharm Des. 2013;19(12):2164-73. doi: 10.2174/1381612811319120004. Curr Pharm Des. 2013. PMID: 23016840

7

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

8

Computational modeling of human oral bioavailability: what will be next?

Cabrera-Pérez MÁ, Pham-The H. Cabrera-Pérez MÁ, et al. Expert Opin Drug Discov. 2018 Jun;13(6):509-521. doi: 10.1080/17460441.2018.1463988. Epub 2018 Apr 17. Expert Opin Drug Discov. 2018. PMID: 29663836 Review.

9

Provisional classification and in silico study of biopharmaceutical system based on caco-2 cell permeability and dose number.

Pham-The H, Garrigues T, Bermejo M, González-Álvarez I, Monteagudo MC, Cabrera-Pérez MÁ. Pham-The H, et al. Mol Pharm. 2013 Jun 3;10(6):2445-61. doi: 10.1021/mp4000585. Epub 2013 May 15. Mol Pharm. 2013. PMID: 23675957

10

ADME Prediction with KNIME: Development and Validation of a Publicly Available Workflow for the Prediction of Human Oral Bioavailability.

Falcón-Cano G, Molina C, Cabrera-Pérez MÁ. Falcón-Cano G, et al. J Chem Inf Model. 2020 Jun 22;60(6):2660-2667. doi: 10.1021/acs.jcim.0c00019. Epub 2020 May 21. J Chem Inf Model. 2020. PMID: 32379452

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