Matèria: Bioquímica
Drets d'accés: info:eu-repo/semantics/openAccess
Identificador del investigador: 0000-0003-4990-7765
Publicat per (editora): Universitat Rovira i Virgili (URV)
Publicacions relacionades: 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
Resum: 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).
Departament: Bioquímica i Biotecnologia
DOI: 10.1371/journal.pone.0044971.t001
Tipus de document: info:eu-repo/semantics/other
DOI de la publicació relacionada: 10.1371/journal.pone.0044971
Data alta repositori: 2012-09-12
Autor: Guasch, Laura
Paraules clau: dpp-iv, structures
Grup de recerca: Nutrigenòmica
Any de publicació de la dataset: 2012
Títol del conjunt de dades: Codes for DPP-IV structures currently available at PDB.
Repositori URV