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dc.contributor.CRUESPUNIVERSIDADE ESTADUAL DE CAMPINASpt_BR
dc.contributor.authorunicampDessoy, Marco Aurélio-
dc.contributor.authorunicampDias, Luiz Carlos-
dc.typeArtigopt_BR
dc.titleBenzimidazole inhibitors of the major cysteine protease of Trypanosoma bruceipt_BR
dc.contributor.authorPereira, Glaecia A. N.-
dc.contributor.authorSantos, Lucianna H.-
dc.contributor.authorWang, Steven C.-
dc.contributor.authorMartins, Luan C.-
dc.contributor.authorVillela, Filipe S.-
dc.contributor.authorLiao, Weiting-
dc.contributor.authorDessoy, Marco A.-
dc.contributor.authorDias, Luiz C.-
dc.contributor.authorAndricopulo, Adriano D.-
dc.contributor.authorNagem, Ronaldo A. P.-
dc.contributor.authorCaffrey, Conor R.-
dc.contributor.authorLiedl, Klaus R.-
dc.contributor.authorCaffarena, Ernesto R.-
dc.contributor.authorFerreira, Rafaela S.-
dc.subjectTripanossomopt_BR
dc.subject.otherlanguageTrypanosomapt_BR
dc.description.abstractLimitations in available therapies for trypanosomiases indicate the need for improved medicines. Cysteine proteases cruzain and rhodesain are validated targets for treatment of Chagas disease and human African trypanosomiasis. Previous studies reported a benzimidazole series as potent cruzain inhibitors. Results & methodology: Considering the high similarity between these proteases, we evaluated 40 benzimidazoles against rhodesain. We describe their structure-activity relationships (SAR), revealing trends similar to those observed for cruzain and features that lead to enzyme selectivity. This series comprises noncovalent competitive inhibitors (best K-i = 0.21 mu M against rhodesain) and micromolar activity against Trypanosoma brucei brucei. A cheminformatics analysis confirms scaffold novelty, and the inhibitors described have favorable predicted physicochemical properties. Conclusion: Our results support this series as a starting point for new human African trypanosomiasis medicinespt_BR
dc.relation.ispartofFuture medicinal chemistrypt_BR
dc.relation.ispartofabbreviationFuture med. chem.pt_BR
dc.publisher.cityLondonpt_BR
dc.publisher.countryReino Unidopt_BR
dc.publisherFuture Sciencept_BR
dc.date.issued2019-
dc.date.monthofcirculationJulypt_BR
dc.language.isoengpt_BR
dc.description.volume11pt_BR
dc.description.issuenumber13pt_BR
dc.description.firstpage1537pt_BR
dc.description.lastpage1551pt_BR
dc.rightsFechadopt_BR
dc.sourceWOSpt_BR
dc.identifier.issn1756-8919pt_BR
dc.identifier.eissn1756-8927pt_BR
dc.identifier.doi10.4155/fmc-2018-0523pt_BR
dc.identifier.urlhttps://www.future-science.com/doi/10.4155/fmc-2018-0523pt_BR
dc.date.available2020-06-15T12:53:50Z-
dc.date.accessioned2020-06-15T12:53:50Z-
dc.description.provenanceSubmitted by Sanches Olivia (olivias@unicamp.br) on 2020-06-15T12:53:50Z No. of bitstreams: 0. Added 1 bitstream(s) on 2020-11-11T13:13:41Z : No. of bitstreams: 1 000489283200004.pdf: 2693886 bytes, checksum: aa97c3043220ce249fc49514a3f2f0f1 (MD5)en
dc.description.provenanceMade available in DSpace on 2020-06-15T12:53:50Z (GMT). No. of bitstreams: 0 Previous issue date: 2019en
dc.identifier.urihttp://repositorio.unicamp.br/jspui/handle/REPOSIP/343229-
dc.contributor.departmentsem informaçãopt_BR
dc.contributor.departmentDepartamento de Química Orgânicapt_BR
dc.contributor.unidadeInstituto de Químicapt_BR
dc.subject.keywordBenzimidazole inhibitorspt_BR
dc.subject.keywordCruzainpt_BR
dc.subject.keywordParasite cysteine proteasespt_BR
dc.subject.keywordRhodesainpt_BR
dc.identifier.source000489283200004pt_BR
dc.creator.orcidsem informaçãopt_BR
dc.creator.orcid0000-0003-0628-9928pt_BR
dc.type.formArtigo de pesquisapt_BR
dc.description.otherSponsorshipsem informaçãopt_BR
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