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Design and Synthesis ofWater-Soluble and Potent MMP-13 Inhibitors with Activity in Human Osteosarcoma Cells.

Título : Design and Synthesis ofWater-Soluble and Potent MMP-13 Inhibitors with Activity in Human Osteosarcoma Cells.
Autor : Zapico Rodríguez, José María
Acosta Benavides, Lourdes
Pastor, Myriam
Rangasamy, Loganathan
Márquez-Cantudo, Laura
Coderch Boué, Claire
Ortín Remón, Irene
Nicolau-Sanus, María
Puchades-Carrasco, Leonor
Pineda-Lucena, Antonio
Majali-Martinez, Alejandro
Ramos Álvarez, María del Pilar
Pascual-Teresa Fernández, Beatriz de
Ramos González, Ana
Materias: Síntesis orgánica.MMP-13 inhibitorsMetalloproteinasesMolecular modelingOsteoarthritisRMNOrganic synthesis
Resumen : Osteoarthritis is a degenerative disease, often resulting in chronic joint pain and commonly affecting elderly people. Current treatments with anti-inflammatory drugs are palliative, making the discovery of new treatments necessary. The inhibition of matrix metalloproteinase MMP-13 is a validated strategy to prevent the progression of this common joint disorder. We recently described polybrominated benzotriazole derivatives with nanomolar inhibitory activity and a promising selectivity profile against this collagenase. In this work, we have extended the study in order to explore the influence of bromine atoms and the nature of the S10 heterocyclic interacting moiety on the solubility/selectivity balance of this type of compound. Drug target interactions have been assessed through a combination of molecular modeling studies and NMR experiments. Compound 9a has been identified as a water-soluble and highly potent inhibitor with activity in MG-63 human osteosarcoma cells.
Descripción : International Journal Molecular Sciences, e-ISSN 1422-0067, 2021, 22, 9976
URI : http://hdl.handle.net/10637/13381
Derechos: http://creativecommons.org/licenses/by-nc-nd/4.0/deed.es
Fecha de publicación : 15-feb-2021
Centro : Universidad San Pablo-CEU
Aparece en las colecciones: Facultad de Farmacia





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