Cereto-Massagué A - Search Results

1

The Light and Dark Sides of Virtual Screening: What Is There to Know?

Gimeno A, Ojeda-Montes MJ, Tomás-Hernández S, Cereto-Massagué A, Beltrán-Debón R, Mulero M, Pujadas G, Garcia-Vallvé S. Gimeno A, et al. Int J Mol Sci. 2019 Mar 19;20(6):1375. doi: 10.3390/ijms20061375. Int J Mol Sci. 2019. PMID: 30893780 Free PMC article. Review.

2

DecoyFinder: an easy-to-use python GUI application for building target-specific decoy sets.

Cereto-Massagué A, Guasch L, Valls C, Mulero M, Pujadas G, Garcia-Vallvé S. Cereto-Massagué A, et al. Bioinformatics. 2012 Jun 15;28(12):1661-2. doi: 10.1093/bioinformatics/bts249. Epub 2012 Apr 26. Bioinformatics. 2012. PMID: 22539671

3

Identification of novel human dipeptidyl peptidase-IV inhibitors of natural origin (part I): virtual screening and activity assays.

Guasch L, Ojeda MJ, González-Abuín N, Sala E, Cereto-Massagué A, Mulero M, Valls C, Pinent M, Ardévol A, Garcia-Vallvé S, Pujadas G. Guasch L, et al. PLoS One. 2012;7(9):e44971. doi: 10.1371/journal.pone.0044971. Epub 2012 Sep 12. PLoS One. 2012. PMID: 22984596 Free PMC article.

4

The good, the bad and the dubious: VHELIBS, a validation helper for ligands and binding sites.

Cereto-Massagué A, Ojeda MJ, Joosten RP, Valls C, Mulero M, Salvado MJ, Arola-Arnal A, Arola L, Garcia-Vallvé S, Pujadas G. Cereto-Massagué A, et al. J Cheminform. 2013 Jul 29;5(1):36. doi: 10.1186/1758-2946-5-36. J Cheminform. 2013. PMID: 23895374 Free PMC article.

5

Molecular fingerprint similarity search in virtual screening.

Cereto-Massagué A, Ojeda MJ, Valls C, Mulero M, Garcia-Vallvé S, Pujadas G. Cereto-Massagué A, et al. Methods. 2015 Jan;71:58-63. doi: 10.1016/j.ymeth.2014.08.005. Epub 2014 Aug 15. Methods. 2015. PMID: 25132639 Review.

6

Tools for in silico target fishing.

Cereto-Massagué A, Ojeda MJ, Valls C, Mulero M, Pujadas G, Garcia-Vallve S. Cereto-Massagué A, et al. Methods. 2015 Jan;71:98-103. doi: 10.1016/j.ymeth.2014.09.006. Epub 2014 Sep 30. Methods. 2015. PMID: 25277948

7

Ephedrine as a lead compound for the development of new DPP-IV inhibitors.

Ojeda-Montes MJ, Ardid-Ruiz A, Tomás-Hernández S, Gimeno A, Cereto-Massagué A, Beltrán-Debón R, Mulero M, Garcia-Vallvé S, Pujadas G, Valls C. Ojeda-Montes MJ, et al. Future Med Chem. 2017 Dec;9(18):2129-2146. doi: 10.4155/fmc-2017-0080. Epub 2017 Nov 27. Future Med Chem. 2017. PMID: 29172693

8

Activity and selectivity cliffs for DPP-IV inhibitors: Lessons we can learn from SAR studies and their application to virtual screening.

Ojeda-Montes MJ, Gimeno A, Tomas-Hernández S, Cereto-Massagué A, Beltrán-Debón R, Valls C, Mulero M, Pujadas G, Garcia-Vallvé S. Ojeda-Montes MJ, et al. Med Res Rev. 2018 Sep;38(6):1874-1915. doi: 10.1002/med.21499. Epub 2018 Apr 16. Med Res Rev. 2018. PMID: 29660786 Review.

9

Combined Ligand- and Receptor-Based Virtual Screening Methodology to Identify Structurally Diverse Protein Tyrosine Phosphatase 1B Inhibitors.

Gimeno A, Ardid-Ruiz A, Ojeda-Montes MJ, Tomás-Hernández S, Cereto-Massagué A, Beltrán-Debón R, Mulero M, Valls C, Aragonès G, Suárez M, Pujadas G, Garcia-Vallvé S. Gimeno A, et al. ChemMedChem. 2018 Sep 19;13(18):1939-1948. doi: 10.1002/cmdc.201800267. Epub 2018 Aug 23. ChemMedChem. 2018. PMID: 30024103

10

Anti-inflammatory and Proapoptotic Properties of the Natural Compound o-Orsellinaldehyde.

Tomas-Hernandez S, Garcia-Vallvé S, Pujadas G, Valls C, Ojeda-Montes MJ, Gimeno A, Cereto-Massagué A, Roca-Martinez J, Suárez M, Arola L, Blanco J, Mulero M, Beltran-Debón R. Tomas-Hernandez S, et al. J Agric Food Chem. 2018 Oct 24;66(42):10952-10963. doi: 10.1021/acs.jafc.8b00782. Epub 2018 Oct 11. J Agric Food Chem. 2018. PMID: 30269491

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