Elucidating the crystal structure of the antimalarial drug (+/-)-mefloquine hydrochloride: a tetragonal hydrated species

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dc.contributor.authorPrado, Vania Mendes do
dc.contributor.authorSeiceira, Rafael Cardoso
dc.contributor.authorPitaluga, Altivo
dc.contributor.authorAndrade-Filho, Tarciso
dc.contributor.authorAlves, Wendel Andrade
dc.contributor.authorRocha, Alexandre Reily [UNESP]
dc.contributor.authorFerreira, Fabio Furlan
dc.contributor.institutionUniversidade Federal do ABC (UFABC)
dc.contributor.institutionCoordenacao Desenvolvimento Tecnol Fundacao Oswal
dc.contributor.institutionUniversidade Federal do Pará (UFPA)
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2015-03-18T15:55:03Z
dc.date.available2015-03-18T15:55:03Z
dc.date.issued2014-08-01
dc.description.abstractAlbeit widely studied, the structure of the antimalarial drug (+/-)-mefloquine hydrochloride is still a controversial issue. A combination of X-ray powder diffraction, theoretical calculations and Fourier transform-infrared spectroscopy is used to unambiguously determine the crystal structure of the molecule in its active pharmaceutical ingredient. It is demonstrated that water is incorporated into the structure, leading to a hydrated form and, most importantly, to significant differences in both structure and bonding. Such changes can lead to significant differences in biological activity. (C) 2014 International Union of Crystallographyen
dc.description.affiliationUniv Fed Abc, CCNH, BR-09210580 Santo Andre, SP, Brazil
dc.description.affiliationCoordenacao Desenvolvimento Tecnol Fundacao Oswal, Lab Estudos Estado Solido, BR-22775903 Rio De Janeiro, RJ, Brazil
dc.description.affiliationUniv Fed Para UFPA, Fac Fis, BR-68501970 Maraba, PA, Brazil
dc.description.affiliationUniv Estadual Paulista UNESP, IFT, BR-01140070 Sao Paulo, Brazil
dc.description.affiliationUnespUniv Estadual Paulista UNESP, IFT, BR-01140070 Sao Paulo, Brazil
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.sponsorshipCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.description.sponsorshipPrograma Integrado de Apoio ao Ensino, Pesquisa e Extensao (PROINT)
dc.description.sponsorshipHPC center at UFABC University
dc.description.sponsorshipPPG-Nano-UFABC
dc.description.sponsorshipIdFAPESP: 08/10537-3
dc.description.sponsorshipIdFAPESP: 08/53576-9
dc.description.sponsorshipIdFAPESP: 09/15129-3
dc.description.sponsorshipIdFAPESP: 13/02112-0
dc.description.sponsorshipIdCNPq: 477296/2011-4
dc.description.sponsorshipIdCNPq: 305186/2012-4
dc.description.sponsorshipIdCNPq: 130522/2011-2
dc.description.sponsorshipIdCNPq: 472197/2012-6
dc.description.sponsorshipIdPrograma Integrado de Apoio ao Ensino, Pesquisa e Extensao (PROINT)128001208048
dc.format.extent1380-1386
dc.identifierhttp://dx.doi.org/10.1107/S160057671401303X
dc.identifier.citationJournal Of Applied Crystallography. Hoboken: Wiley-blackwell, v. 47, p. 1380-1386, 2014.
dc.identifier.doi10.1107/S160057671401303X
dc.identifier.issn0021-8898
dc.identifier.lattes4785631459929035
dc.identifier.orcid0000-0001-8874-6947
dc.identifier.urihttp://hdl.handle.net/11449/117061
dc.identifier.wosWOS:000340362000025
dc.language.isoeng
dc.publisherWiley-Blackwell
dc.relation.ispartofJournal Of Applied Crystallography
dc.relation.ispartofsjr1,635
dc.rights.accessRightsAcesso restrito
dc.sourceWeb of Science
dc.titleElucidating the crystal structure of the antimalarial drug (+/-)-mefloquine hydrochloride: a tetragonal hydrated speciesen
dc.typeArtigo
dcterms.licensehttp://olabout.wiley.com/WileyCDA/Section/id-406071.html
dcterms.rightsHolderWiley-Blackwell
unesp.author.lattes4785631459929035[6]
unesp.author.orcid0000-0001-8874-6947[6]
unesp.campusUniversidade Estadual Paulista (Unesp), Instituto de Física Teórica (IFT), São Paulopt

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