Chemometric analysis of Hymenoptera toxins and defensins: A model for predicting the biological activity of novel peptides from venoms and hemolymph

dc.contributorUniversidade Estadual Paulista (UNESP)
dc.creatorSaidemberg, Daniel M.
dc.creatorBaptista-Saidemberg, Nicoli B.
dc.creatorPalma, Mario Sergio
dc.date2014-05-27T11:25:58Z
dc.date2016-10-25T18:34:22Z
dc.date2014-05-27T11:25:58Z
dc.date2016-10-25T18:34:22Z
dc.date2011-09-01
dc.date.accessioned2017-04-06T01:52:02Z
dc.date.available2017-04-06T01:52:02Z
dc.identifierPeptides, v. 32, n. 9, p. 1924-1933, 2011.
dc.identifier0196-9781
dc.identifier1873-5169
dc.identifierhttp://hdl.handle.net/11449/72627
dc.identifierhttp://acervodigital.unesp.br/handle/11449/72627
dc.identifier10.1016/j.peptides.2011.08.001
dc.identifier2-s2.0-80052696686.pdf
dc.identifier2-s2.0-80052696686
dc.identifierhttp://dx.doi.org/10.1016/j.peptides.2011.08.001
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/893482
dc.descriptionWhen searching for prospective novel peptides, it is difficult to determine the biological activity of a peptide based only on its sequence. The trial and error approach is generally laborious, expensive and time consuming due to the large number of different experimental setups required to cover a reasonable number of biological assays. To simulate a virtual model for Hymenoptera insects, 166 peptides were selected from the venoms and hemolymphs of wasps, bees and ants and applied to a mathematical model of multivariate analysis, with nine different chemometric components: GRAVY, aliphaticity index, number of disulfide bonds, total residues, net charge, pI value, Boman index, percentage of alpha helix, and flexibility prediction. Principal component analysis (PCA) with non-linear iterative projections by alternating least-squares (NIPALS) algorithm was performed, without including any information about the biological activity of the peptides. This analysis permitted the grouping of peptides in a way that strongly correlated to the biological function of the peptides. Six different groupings were observed, which seemed to correspond to the following groups: chemotactic peptides, mastoparans, tachykinins, kinins, antibiotic peptides, and a group of long peptides with one or two disulfide bonds and with biological activities that are not yet clearly defined. The partial overlap between the mastoparans group and the chemotactic peptides, tachykinins, kinins and antibiotic peptides in the PCA score plot may be used to explain the frequent reports in the literature about the multifunctionality of some of these peptides. The mathematical model used in the present investigation can be used to predict the biological activities of novel peptides in this system, and it may also be easily applied to other biological systems. © 2011 Elsevier Inc.
dc.languageeng
dc.relationPeptides
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectInsect venoms
dc.subjectPCA
dc.subjectPolycationic peptides
dc.subjectSystem biology
dc.subjectToxins
dc.subjectchemotactic peptide
dc.subjectdefensin
dc.subjectHymenoptera venom
dc.subjectkinin
dc.subjectmastoparan
dc.subjectpeptide
dc.subjecttachykinin
dc.subjectvenom
dc.subjectalgorithm
dc.subjectalpha helix
dc.subjectant
dc.subjectbee
dc.subjectbiological activity
dc.subjectchemometric analysis
dc.subjectdisulfide bond
dc.subjectelectricity
dc.subjecthemolymph
dc.subjectHymenoptera
dc.subjectprincipal component analysis
dc.subjectpriority journal
dc.subjectwasp
dc.subjectAlgorithms
dc.subjectAmino Acid Sequence
dc.subjectAnimals
dc.subjectAnti-Infective Agents
dc.subjectArthropod Venoms
dc.subjectBiological Agents
dc.subjectDefensins
dc.subjectDisulfides
dc.subjectHemolymph
dc.subjectHydrophobic and Hydrophilic Interactions
dc.subjectIsoelectric Point
dc.subjectModels, Theoretical
dc.subjectPeptides
dc.subjectPrincipal Component Analysis
dc.subjectProtein Structure, Secondary
dc.subjectApoidea
dc.subjectFormicidae
dc.subjectHexapoda
dc.titleChemometric analysis of Hymenoptera toxins and defensins: A model for predicting the biological activity of novel peptides from venoms and hemolymph
dc.typeOtro


Este ítem pertenece a la siguiente institución