In-silico design of peptide receptor for carboxyhemoglobin recognition

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dc.contributor.authorRodríguez Salazar, Luna
dc.contributor.authorGuevara Pulido, James
dc.contributor.authorMorales Mendoza, Esteban
dc.contributor.authorIbla, Francisco
dc.contributor.orcidGuevara Pulido, James [0000-0001-9134-3719]
dc.date.accessioned2020-03-16T21:53:13Z
dc.date.available2020-03-16T21:53:13Z
dc.date.issued2019
dc.description.abstractenglishA series of peptide receptors were designed using an in-silico approach for the recognition of the heme prosthetic group in carboxyhemoglobin (COHb). These peptide chains were designed from the amino acids present in the enzyme Cytochrome b561 (Cyt b561) active site. The evaluation of the interaction energy of the heme prosthetic group against the Cyt b561 active site was found to be −7.1 kcal/mol. However, after evaluating the interaction energies of the heme group against the different peptides representing the enzyme's active site, a higher affinity was discovered with one particular peptide chain (−8.2 kcal/mol). For the design, the peptide was built preserving the distance between the amino acids involved in the catalytic process of Cyt b561, using methylenes as spacers. Additionally, the peptide was polymerized with styrene, resulting in the following peptide chain poly(styrene)-A(CH 2 ) 5 QW(CH 2 ) 5 GF(CH 2 ) 5 YW(CH 2 ) 6 M(CH 2 ) 5 HA(CH 2 ) 6 G-(styrene)poly. This result promotes the rational design of peptide receptors in the detection and quantification of COHb from the recognition of its prosthetic group.eng
dc.format.mimetypeapplication/pdf
dc.identifier.doihttps://doi.org/10.1016/j.imu.2019.01.003
dc.identifier.instnameinstname:Universidad El Bosquespa
dc.identifier.issn2352-9148
dc.identifier.reponamereponame:Repositorio Institucional Universidad El Bosquespa
dc.identifier.repourlrepourl:https://repositorio.unbosque.edu.co
dc.identifier.urihttps://hdl.handle.net/20.500.12495/2074
dc.language.isoeng
dc.publisherElsevierspa
dc.publisher.journalInformatics in medicine unlockedspa
dc.relation.ispartofseriesnformatics in medicine unlocked, 2352-9148, Vol. 14, 2019, p. 1-5spa
dc.relation.urihttps://www.sciencedirect.com/science/article/pii/S2352914818301977
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 International*
dc.rights.accessrightsinfo:eu-repo/semantics/openAccess
dc.rights.accessrightshttps://purl.org/coar/access_right/c_abf291
dc.rights.creativecommons2019
dc.rights.localAcceso abiertospa
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.subject.decsTransferasas de carboxilo y carbamoilospa
dc.subject.decsBiología molecularspa
dc.subject.decsMonóxido de carbonospa
dc.subject.keywordsActive sitespa
dc.subject.keywordsAmino acidsspa
dc.subject.keywordsMolecular dockingspa
dc.titleIn-silico design of peptide receptor for carboxyhemoglobin recognitionspa
dc.title.translatedIn-silico design of peptide receptor for carboxyhemoglobin recognition
dc.typearticlespa
dc.type.hasversioninfo:eu-repo/semantics/publishedVersion
dc.type.localartículospa

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