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Identification of human IKK-2 inhibitors of natural origin (Part II): in Silico prediction of IKK-2 inhibitors in natural extracts with known anti-inflammatory activity.
Sala E, Guasch L, Iwaszkiewicz J, Mulero M, Salvadó MJ, Bladé C, Ceballos M, Valls C, Zoete V, Grosdidier A, Garcia-Vallvé S, Michielin O, Pujadas G. Sala E, et al. Among authors: pujadas g. Eur J Med Chem. 2011 Dec;46(12):6098-103. doi: 10.1016/j.ejmech.2011.09.022. Epub 2011 Sep 22. Eur J Med Chem. 2011. PMID: 22000921
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: pujadas g. 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
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: pujadas g. 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
Haste makes waste: A critical review of docking-based virtual screening in drug repurposing for SARS-CoV-2 main protease (M-pro) inhibition.
Macip G, Garcia-Segura P, Mestres-Truyol J, Saldivar-Espinoza B, Ojeda-Montes MJ, Gimeno A, Cereto-Massagué A, Garcia-Vallvé S, Pujadas G. Macip G, et al. Among authors: pujadas g. Med Res Rev. 2022 Mar;42(2):744-769. doi: 10.1002/med.21862. Epub 2021 Oct 26. Med Res Rev. 2022. PMID: 34697818 Free PMC article. Review.
104 results