Perez-Castillo Y - Search Results

1

Fusing Docking Scoring Functions Improves the Virtual Screening Performance for Discovering Parkinson's Disease Dual Target Ligands.

Perez-Castillo Y, Helguera AM, Cordeiro MNDS, Tejera E, Paz-Y-Mino C, Sanchez-Rodriguez A, Borges F, Cruz-Monteagudo M. Perez-Castillo Y, et al. Curr Neuropharmacol. 2017 Nov 14;15(8):1107-1116. doi: 10.2174/1570159X15666170109143757. Curr Neuropharmacol. 2017. PMID: 28067172 Free PMC article.

2

Elucidating the Racemization Mechanism of Aliphatic and Aromatic Amino Acids by In Silico Tools.

Andino MS, Mora JR, Paz JL, Márquez EA, Perez-Castillo Y, Agüero-Chapin G. Andino MS, et al. Int J Mol Sci. 2023 Jul 25;24(15):11877. doi: 10.3390/ijms241511877. Int J Mol Sci. 2023. PMID: 37569252 Free PMC article.

3

Degradation of PET Bottles by an Engineered Ideonella sakaiensis PETase.

Sevilla ME, Garcia MD, Perez-Castillo Y, Armijos-Jaramillo V, Casado S, Vizuete K, Debut A, Cerda-Mejía L. Sevilla ME, et al. Polymers (Basel). 2023 Apr 3;15(7):1779. doi: 10.3390/polym15071779. Polymers (Basel). 2023. PMID: 37050393 Free PMC article.

4

A TOPological Sub-structural Molecular Design (TOPS-MODE)-QSAR approach for modeling the antiproliferative activity against murine leukemia tumor cell line (L1210).

Molina-Ruiz R, Saíz-Urra L, Rodríguez-Borges JE, Pérez-Castillo Y, González MP, García-Mera X, Cordeiro MN. Molina-Ruiz R, et al. Bioorg Med Chem. 2009 Jan 15;17(2):537-47. doi: 10.1016/j.bmc.2008.11.084. Epub 2008 Dec 13. Bioorg Med Chem. 2009. PMID: 19114309

5

An alignment-free approach for eukaryotic ITS2 annotation and phylogenetic inference.

Agüero-Chapin G, Sánchez-Rodríguez A, Hidalgo-Yanes PI, Pérez-Castillo Y, Molina-Ruiz R, Marchal K, Vasconcelos V, Antunes A. Agüero-Chapin G, et al. PLoS One. 2011;6(10):e26638. doi: 10.1371/journal.pone.0026638. Epub 2011 Oct 26. PLoS One. 2011. PMID: 22046320 Free PMC article.

6

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

7

Toward the computer-aided discovery of FabH inhibitors. Do predictive QSAR models ensure high quality virtual screening performance?

Pérez-Castillo Y, Cruz-Monteagudo M, Lazar C, Taminau J, Froeyen M, Cabrera-Pérez MA, Nowé A. Pérez-Castillo Y, et al. Mol Divers. 2014 Aug;18(3):637-54. doi: 10.1007/s11030-014-9513-y. Epub 2014 Mar 27. Mol Divers. 2014. PMID: 24671521

8

Ligand-Based Virtual Screening Using Tailored Ensembles: A Prioritization Tool for Dual A2AAdenosine Receptor Antagonists / Monoamine Oxidase B Inhibitors.

Helguera AM, Perez-Castillo Y, D S Cordeiro MN, Tejera E, Paz-Y-Miño C, Sánchez-Rodríguez A, Teijeira M, Ancede-Gallardo E, Cagide F, Borges F, Cruz-Monteagudo M. Helguera AM, et al. Curr Pharm Des. 2016;22(21):3082-96. doi: 10.2174/1381612822666160302103542. Curr Pharm Des. 2016. PMID: 26932160 Review.

9

Efficient and biologically relevant consensus strategy for Parkinson's disease gene prioritization.

Cruz-Monteagudo M, Borges F, Paz-Y-Miño C, Cordeiro MN, Rebelo I, Perez-Castillo Y, Helguera AM, Sánchez-Rodríguez A, Tejera E. Cruz-Monteagudo M, et al. BMC Med Genomics. 2016 Mar 9;9:12. doi: 10.1186/s12920-016-0173-x. BMC Med Genomics. 2016. PMID: 26961748 Free PMC article.

10

Probing the Hypothesis of SAR Continuity Restoration by the Removal of Activity Cliffs Generators in QSAR.

Cruz-Monteagudo M, Medina-Franco JL, Perera-Sardiña Y, Borges F, Tejera E, Paz-Y-Miño C, Pérez-Castillo Y, Sánchez-Rodríguez A, Contreras-Posada Z, Cordeiro MN. Cruz-Monteagudo M, et al. Curr Pharm Des. 2016;22(33):5043-5056. doi: 10.2174/1381612822666160509124337. Curr Pharm Des. 2016. PMID: 27157417 Review.

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