Materia: Bioquímica
Derechos de acceso: info:eu-repo/semantics/openAccess
Identificador del investigador: 0000-0003-4990-7765
Publicado por (editorial): Universitat Rovira i Virgili (URV)
Publicaciones relacionadas: Guasch, L., Ojeda, M. J., González-Abuín, N., Sala, E., Cereto-Massagué, A., Mulero, M., Valls, C., Pinent, M., Ardévol, A., Garcia-Vallvé, S., & Pujadas, G. (2012). Identification of novel human dipeptidyl peptidase-iv inhibitors of natural origin (Part i): Virtual screening and activity assays. PLoS ONE, 7(9), e44971. https://doi.org/10.1371/journal.pone.0044971
Resumen: Some PDB structures were discarded for the following reasons: (a) the structures were of apo forms without inhibitor, (b) inhibitors were covalently linked with Ser630, (c) inhibitors were of oligopeptide nature, (d) there were no structural factors available in the PDB or (e) the scripts in the EDS failed to produce the map from the structural factors. PDB structures marked with an asterisk (*) have mutations in the enzyme to modify the activity. Only the PDB files from the “Valid PDB Structures” section with IC50 values ≤10 nM (in bold) were used to derive the corresponding structure-based common pharmacophore for DPP-IV inhibition (see Figure 1).
Departamento: Bioquímica i Biotecnologia
DOI: 10.1371/journal.pone.0044971.t001
Tipo de documento: info:eu-repo/semantics/other
DOI de la publicación relacionada: 10.1371/journal.pone.0044971
Fecha alta repositorio: 2012-09-12
Autor: Guasch, Laura
Palabras clave: dpp-iv, structures
Grupo de investigación: Nutrigenòmica
Año de publicación de la dataset: 2012
Título del conjunto de datos: Codes for DPP-IV structures currently available at PDB.
Repositori URV