Caffeoylquinic acids from antiplasmodial active extract of Xanthium cavanillesii fruits and their molecular modelling studies

dc.creatorTaranto, Alex Gutterres
dc.creatorCosta, Sônia Carine Cova
dc.creatorLeite, Franco Henrique Andrade
dc.creatorSá, Matheus Santos de
dc.creatorSoares, Milena Botelho Pereira
dc.creatorMussi, Miriam Moreira
dc.creatorBranco, Alexsandro
dc.date2017-05-16T17:48:35Z
dc.date2017-05-16T17:48:35Z
dc.date2017
dc.date.accessioned2023-09-26T20:55:55Z
dc.date.available2023-09-26T20:55:55Z
dc.identifierTARANTO, A. G. et al. Caffeoylquinic acids from antiplasmodial active extract of Xanthium cavanillesii fruits and their molecular modelling studies. Natural Product Research, 2016.
dc.identifier1478-6419
dc.identifierhttps://www.arca.fiocruz.br/handle/icict/18873
dc.identifier10.1080/14786419.2016.1219856
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/8866365
dc.descriptionFAPESB [grant number SEMIÁRIDO - PET0018/2007]; CAPES [grant number PROCAD 2007]; FAPEMIG [grant number APQ-00557-14]; CNPq [grant number 475512/2010-3], [grant number 449984/2014-1]; PPGBiotec/UFSJ.
dc.descriptionThe antiplasmodial active extract of Xanthium cavanillesii contains 3,4-dicaffeoyl quinic acid (3,4-DCQA), 3,5-dicaffeoyl quinic acid (3,5-DCQA) and 1,3,5-tricaffeoyl quinic acid (1,3,5-TCQA). These results inspired us to investigate the interaction of these molecules with a promising validated target of Plasmodium, PfATP6 orthologue of mammalian Ca(+2)-ATPase. Models of this receptor were obtained through comparative modelling. Afterwards, molecular docking studies were used to identify possible interaction modes of these caffeoyl quinic derivatives on the binding site. The 1,3,5-TCQA had the best energy, but all of these had better energy than thapsigargin, a non-competitive inhibitor of the sarco/endoplasmatic reticulum Ca(+2)-ATPase (SERCA).
dc.formatapplication/pdf
dc.languageeng
dc.publisherTaylor & Francis
dc.rightsopen access
dc.subjectXanthium cavanillesii
dc.subjectÁcido cafeoilquinico
dc.subjectActividade antiplasmodial
dc.subjectPfAT Pase
dc.subjectXanthium cavanillesii
dc.subjectCaffeoyl quinic acid
dc.subjectAntiplasmodial activity
dc.subjectPfAT Pase
dc.subjectXanthium
dc.titleCaffeoylquinic acids from antiplasmodial active extract of Xanthium cavanillesii fruits and their molecular modelling studies
dc.typeArticle


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