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82 results
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Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase.
Talibov VO, Fabini E, FitzGerald EA, Tedesco D, Cederfeldt D, Talu MJ, Rachman MM, Mihalic F, Manoni E, Naldi M, Sanese P, Forte G, Lepore Signorile M, Barril X, Simone C, Bartolini M, Dobritzsch D, Del Rio A, Danielson UH. Talibov VO, et al. Among authors: barril x. Chembiochem. 2021 May 4;22(9):1597-1608. doi: 10.1002/cbic.202000736. Epub 2021 Feb 11. Chembiochem. 2021. PMID: 33400854 Free PMC article.
Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors.
Burastero O, Defelipe LA, Gola G, Tateosian NL, Lopez ED, Martinena CB, Arcon JP, Traian MD, Wetzler DE, Bento I, Barril X, Ramirez J, Marti MA, Garcia-Alai MM, Turjanski AG. Burastero O, et al. Among authors: barril x. J Med Chem. 2022 Jul 28;65(14):9691-9705. doi: 10.1021/acs.jmedchem.1c02012. Epub 2022 Jun 23. J Med Chem. 2022. PMID: 35737472 Free PMC article.
Computational Design of Inhibitors Targeting the Catalytic β Subunit of Escherichia coli FOF1-ATP Synthase.
Avila-Barrientos LP, Cofas-Vargas LF, Agüero-Chapin G, Hernández-García E, Ruiz-Carmona S, Valdez-Cruz NA, Trujillo-Roldán M, Weber J, Ruiz-Blanco YB, Barril X, García-Hernández E. Avila-Barrientos LP, et al. Among authors: barril x. Antibiotics (Basel). 2022 Apr 22;11(5):557. doi: 10.3390/antibiotics11050557. Antibiotics (Basel). 2022. PMID: 35625201 Free PMC article.
Revealing 2-dimethylhydrazino-2-alkyl alkynyl sphingosine derivatives as sphingosine kinase 2 inhibitors: Some hints on the structural basis for selective inhibition.
Corro-Morón M, Granell A, Ivanova V, Domingo E, Beltrán-Debón R, Barril X, Sanz MJ, Matheu MI, Castillón S, Díaz Y. Corro-Morón M, et al. Among authors: barril x. Bioorg Chem. 2022 Apr;121:105668. doi: 10.1016/j.bioorg.2022.105668. Epub 2022 Feb 12. Bioorg Chem. 2022. PMID: 35219046 Free article.
82 results