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Please use this identifier to cite or link to this item: http://hdl.handle.net/1843/50646
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dc.creatorDébora Priscila de Campospt_BR
dc.creatorNeila Márcia Silva Barcellospt_BR
dc.creatorRenata Rodrigues Limapt_BR
dc.creatorRanylson Marcello Leal Savedrapt_BR
dc.creatorMelissa Fabíola Siqueirapt_BR
dc.creatorMaria Irene Yoshidapt_BR
dc.creatorWagner da Nova Musselpt_BR
dc.creatorJacqueline de Souzapt_BR
dc.date.accessioned2023-03-03T17:59:36Z-
dc.date.available2023-03-03T17:59:36Z-
dc.date.issued2018-10-
dc.citation.volume19pt_BR
dc.citation.issue7pt_BR
dc.citation.spage3019pt_BR
dc.citation.epage3028pt_BR
dc.identifier.doihttps://doi.org/10.1208/s12249-018-1129-6pt_BR
dc.identifier.issn1530-9932pt_BR
dc.identifier.urihttp://hdl.handle.net/1843/50646-
dc.description.resumoThe recommended method for the biopharmaceutical evaluation of drug solubility is the shake flask; however, there are discrepancies reported about the solubility of certain compounds measured with this method, one of them is candesartan cilexetil. The present work aimed to elucidate the solubility of candesartan cilexetil by associating others assays such as stability determination, polymorphic characterization and in silico calculations of intrinsic solubility, ionized species, and electronic structures using quantum chemistry descriptors (frontier molecular orbitals and Fukui functions). For the complete biopharmaceutical classification, we also reviewed the permeability data available. The polymorphic form used was previously identified as the form I of candesartan cilexetil. The solubility was evaluated in biorelevant media in the pH range of 1.2–6.8 at 37.0°C according to the stability previously assessed. The solubility of candesartan cilexetil is pH dependent and the dose/solubility ratios obtained demonstrated the low solubility of the prodrug. The in silico calculations supported the found results and evidenced the main groups involved in the solvation, benzimidazole, and tetrazol-biphenyl. The human absolute bioavailability reported demonstrates that candesartan cilexetil has low permeability and when associated with the low solubility allows to classify it as class 4 of the Biopharmaceutics Classification System.pt_BR
dc.description.sponsorshipCNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológicopt_BR
dc.description.sponsorshipFAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Geraispt_BR
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superiorpt_BR
dc.description.sponsorshipOutra Agênciapt_BR
dc.languageengpt_BR
dc.publisherUniversidade Federal de Minas Geraispt_BR
dc.publisher.countryBrasilpt_BR
dc.publisher.departmentICX - DEPARTAMENTO DE QUÍMICApt_BR
dc.publisher.initialsUFMGpt_BR
dc.rightsAcesso Restritopt_BR
dc.subjectPolymorphismpt_BR
dc.subjectQuantum chemistrypt_BR
dc.subjectBiopharmaceutics classification cystempt_BR
dc.subjectEquilibrium solubilitypt_BR
dc.subjectCandesartan cilexetilpt_BR
dc.subject.otherQuímica quânticapt_BR
dc.subject.otherFísico-químicapt_BR
dc.subject.otherPolimorfismo (Cristalografia)pt_BR
dc.subject.otherSolubilidadept_BR
dc.subject.otherPermeabilidadept_BR
dc.subject.otherMedicamentos - Estabilidadept_BR
dc.subject.otherAgentes hipotensorespt_BR
dc.subject.otherBiofarmacêuticapt_BR
dc.subject.otherFármacos - Classificaçãopt_BR
dc.subject.otherSolvaçãopt_BR
dc.subject.otherOrbitais molecularespt_BR
dc.subject.otherAnálise térmicapt_BR
dc.subject.otherRaios X - Difraçãopt_BR
dc.titlePolymorphic and quantum chemistry characterization of candesartan cilexetil: importance for the correct drug classification according to biopharmaceutics classification systempt_BR
dc.typeArtigo de Periódicopt_BR
dc.url.externahttps://link.springer.com/article/10.1208/s12249-018-1129-6pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0003-3619-5965pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0003-0013-9937pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-4809-577Xpt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-0277-0418pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-6795-9457pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-9768-9830pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0003-0869-023Xpt_BR
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