Subject matter: Bioquímica
Access rights: info:eu-repo/semantics/openAccess
Researcher identifier: 0000-0003-4990-7765
Published by (editorial): Universitat Rovira i Virgili (URV)
Related publications: 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
Abstract: 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
Document type: info:eu-repo/semantics/other
Related publication's DOI: 10.1371/journal.pone.0044971
Repository ingest date: 2012-09-12
Author: Guasch, Laura
Keywords: dpp-iv, structures
Research group: Nutrigenòmica
Dataset publication year: 2012
Dataset title: Codes for DPP-IV structures currently available at PDB.
Repositori URV