Publicación:
Art v 4 Protein Structure as a Representative Template for Allergen Profilins: Homology Modeling and Molecular Dynamics
Art v 4 Protein Structure as a Representative Template for Allergen Profilins: Homology Modeling and Molecular Dynamics
| dc.contributor.author | Barazorda-Ccahuana H.L. | es_PE |
| dc.contributor.author | Valencia D.E. | es_PE |
| dc.contributor.author | Aguilar-Pineda J.A. | es_PE |
| dc.contributor.author | Gómez B. | es_PE |
| dc.date.accessioned | 2024-05-30T23:13:38Z | |
| dc.date.available | 2024-05-30T23:13:38Z | |
| dc.date.issued | 2018 | |
| dc.description.abstract | Profilins are panallergenic proteins of clinical relevance. We compared three groups of three-dimensional structures from six vegetable profilins. The first group was composed of crystal structures obtained by X-ray diffraction. The second and the third group structures were obtained by homology modeling; the selection criteria of the templates for these were based on the best resolution structure and the highest sequence identity, respectively. All of the structures underwent a 200 ns molecular dynamics simulation. The best template for the second group was Art v 4 and for the third group was the crystal structure corresponding to each profilin, except for Zea m 12. After molecular dynamics simulation, root-mean-square deviation, root-mean-square fluctuation, and radii of gyration values were similar in all groups, except for Amb a 8 (second group) and Zea m 12 (third group). All structures had acceptable conformation quality values, demonstrated in the Ramachandran plot and Z-score. The evaluation of epitopes did not have pertinent alterations of all of the structures. Art v 4 profilin was an acceptable template to model three-dimensional profilin structures of this work. The selection of templates based on their structural resolution and the measure of the quality is a good alternative to homology modeling of proteins of the same family. © 2018 American Chemical Society. | |
| dc.description.sponsorship | Consejo Nacional de Ciencia, Tecnología e Innovación Tecnológica - Concytec | |
| dc.identifier.doi | https://doi.org/10.1021/acsomega.8b02288 | |
| dc.identifier.scopus | 2-s2.0-85058672845 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12390/2760 | |
| dc.language.iso | eng | |
| dc.publisher | American Chemical Society | |
| dc.relation.ispartof | ACS Omega | |
| dc.rights | info:eu-repo/semantics/openAccess | |
| dc.rights.uri | https://creativecommons.org/licenses/by-nc-nd/4.0/ | |
| dc.subject | General Chemistry | |
| dc.subject | General Chemical Engineering | es_PE |
| dc.subject.ocde | http://purl.org/pe-repo/ocde/ford#3.04.03 | |
| dc.title | Art v 4 Protein Structure as a Representative Template for Allergen Profilins: Homology Modeling and Molecular Dynamics | |
| dc.type | info:eu-repo/semantics/article | |
| dspace.entity.type | Publication |