Synthesis, leishmanicidal activity, structural descriptors and structure-activity relationship of quinoline derivatives

Página do item simplificado
dc.contributor.authorSilva, Etyene J. G.
dc.contributor.authorBezerra-Souza, Adriana
dc.contributor.authorPassero, Luiz F. D. [UNESP]
dc.contributor.authorLaurenti, Marcia D.
dc.contributor.authorFerreira, Glaucio M.
dc.contributor.authorFujii, Drielli G.
dc.contributor.authorTrossini, Gustavo H. G.
dc.contributor.authorRaminelli, Cristiano
dc.contributor.institutionUniversidade Federal de São Paulo (UNIFESP)
dc.contributor.institutionUniversidade de São Paulo (USP)
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2018-11-26T17:55:12Z
dc.date.available2018-11-26T17:55:12Z
dc.date.issued2018-09-01
dc.description.abstractAim: Considering the epidemiology of leishmaniasis, the emergence of resistant parasites to the approved drugs, and severe clinical manifestations, the development of novel leishmanicidal molecules has become of considerable importance. Results: In this work, three commercially available and 19 synthesized quinoline derivatives were evaluated against promastigote and amastigote forms of Leishmania (Leishmania) amazonensis. In addition, structural parameters and molecular electrostatic potentials were obtained by theoretical calculations, allowing statistical (principal component analyses and hierarchical cluster analyses) and comparative (molecular electrostatic potentials vs leishmanicidal activities) studies, respectively. Conclusion: Principal component analyses and hierarchical cluster analyses suggested volume and polar surface area as possible structural descriptors for the leishmanicidal activity. Furthermore, a comparison between molecular electrostatic potentials and leishmanicidal activities afforded a reasonable structure- activity relationship. [GRAPHICS] .en
dc.description.affiliationUniv Fed Sao Paulo, Inst Ciencias Ambientais Quim & Farmaceut, Rua Prof Artur Riedel 275, BR-09972270 Diadema, SP, Brazil
dc.description.affiliationUniv Sao Paulo, Fac Med, Av Dr Arnaldo 455, BR-01246903 Sao Paulo, SP, Brazil
dc.description.affiliationUniv Estadual Paulista, Inst Biociencias, BR-11380972 Sao Vicente, SP, Brazil
dc.description.affiliationUniv Sao Paulo, Fac Ciencias Farmaceut, Av Prof Lineu Prestes 580, BR-05508000 Sao Paulo, SP, Brazil
dc.description.affiliationUnespUniv Estadual Paulista, Inst Biociencias, BR-11380972 Sao Vicente, SP, Brazil
dc.format.extent2069-2085
dc.identifierhttp://dx.doi.org/10.4155/fmc-2018-0124
dc.identifier.citationFuture Medicinal Chemistry. London: Future Sci Ltd, v. 10, n. 17, p. 2069-2085, 2018.
dc.identifier.doi10.4155/fmc-2018-0124
dc.identifier.issn1756-8919
dc.identifier.urihttp://hdl.handle.net/11449/164587
dc.identifier.wosWOS:000443173800006
dc.language.isoeng
dc.publisherFuture Sci Ltd
dc.relation.ispartofFuture Medicinal Chemistry
dc.relation.ispartofsjr1,111
dc.rights.accessRightsAcesso restrito
dc.sourceWeb of Science
dc.subjectexploratory data analysis
dc.subjectLeishmania (Leishmania) amazonensis
dc.subjectleishmanicidal activity
dc.subjectmolecular modeling
dc.subjectquinoline derivatives
dc.subjectstructure-activity relationship
dc.titleSynthesis, leishmanicidal activity, structural descriptors and structure-activity relationship of quinoline derivativesen
dc.typeArtigo
dcterms.rightsHolderFuture Sci Ltd

Arquivos

Coleções

Artigos - Ciências Biológicas - São Vicente