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2018 3
2019 3
2020 3
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Page 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.
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. Among authors: gimeno a. 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.
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. Among authors: gimeno a. 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
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
Mining large databases to find new leads with low similarity to known actives: application to find new DPP-IV inhibitors.
Ojeda-Montes MJ, Casanova-Martí À, Gimeno A, Tomás-Hernández S, Cereto-Massagué A, Wolber G, Beltrán-Debón R, Valls C, Mulero M, Pinent M, Pujadas G, Garcia-Vallvé S. Ojeda-Montes MJ, et al. Among authors: gimeno a. Future Med Chem. 2019 Jun;11(12):1387-1401. doi: 10.4155/fmc-2018-0597. Epub 2019 Jul 12. Future Med Chem. 2019. PMID: 31298576
Prediction of Novel Inhibitors of the Main Protease (M-pro) of SARS-CoV-2 through Consensus Docking and Drug Reposition.
Gimeno A, Mestres-Truyol J, Ojeda-Montes MJ, Macip G, Saldivar-Espinoza B, Cereto-Massagué A, Pujadas G, Garcia-Vallvé S. Gimeno A, et al. Int J Mol Sci. 2020 May 27;21(11):3793. doi: 10.3390/ijms21113793. Int J Mol Sci. 2020. PMID: 32471205 Free PMC article.
Understanding the variability of the S1' pocket to improve matrix metalloproteinase inhibitor selectivity profiles.
Gimeno A, Beltrán-Debón R, Mulero M, Pujadas G, Garcia-Vallvé S. Gimeno A, et al. Drug Discov Today. 2020 Jan;25(1):38-57. doi: 10.1016/j.drudis.2019.07.013. Epub 2019 Sep 9. Drug Discov Today. 2020. PMID: 31513929 Review.
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. Among authors: gimeno a. 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
Chronic lymphocytic leukemia cells express CD38 in response to Th1 cell-derived IFN-γ by a T-bet-dependent mechanism.
Bürgler S, Gimeno A, Parente-Ribes A, Wang D, Os A, Devereux S, Jebsen P, Bogen B, Tjønnfjord GE, Munthe LA. Bürgler S, et al. Among authors: gimeno a. J Immunol. 2015 Jan 15;194(2):827-35. doi: 10.4049/jimmunol.1401350. Epub 2014 Dec 10. J Immunol. 2015. PMID: 25505279 Free article. Clinical Trial.
Bioactivity Profile Similarities to Expand the Repertoire of COVID-19 Drugs.
Duran-Frigola M, Bertoni M, Blanco R, Martínez V, Pauls E, Alcalde V, Turon G, Villegas N, Fernández-Torras A, Pons C, Mateo L, Guitart-Pla O, Badia-I-Mompel P, Gimeno A, Soler N, Brun-Heath I, Zaragoza H, Aloy P. Duran-Frigola M, et al. Among authors: gimeno a. J Chem Inf Model. 2020 Jul 16:acs.jcim.0c00420. doi: 10.1021/acs.jcim.0c00420. Online ahead of print. J Chem Inf Model. 2020. PMID: 32672454 Free PMC article.
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