Author | Taranto, Alex Gutterres | |
Author | Costa, Sônia Carine Cova | |
Author | Leite, Franco Henrique Andrade | |
Author | Sá, Matheus Santos de | |
Author | Soares, Milena Botelho Pereira | |
Author | Mussi, Miriam Moreira | |
Author | Branco, Alexsandro | |
Access date | 2017-05-16T17:48:35Z | |
Available date | 2017-05-16T17:48:35Z | |
Document date | 2017 | |
Citation | TARANTO, A. G. et al. Caffeoylquinic acids from antiplasmodial active extract of Xanthium cavanillesii fruits and their molecular modelling studies. Natural Product Research, 2016. | pt_BR |
ISSN | 1478-6419 | pt_BR |
URI | https://www.arca.fiocruz.br/handle/icict/18873 | |
Sponsorship | FAPESB [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. | pt_BR |
Language | eng | pt_BR |
Publisher | Taylor & Francis | pt_BR |
Rights | open access | pt_BR |
Subject in Portuguese | Xanthium cavanillesii | pt_BR |
Subject in Portuguese | Ácido cafeoilquinico | pt_BR |
Subject in Portuguese | Actividade antiplasmodial | pt_BR |
Subject in Portuguese | PfAT Pase | pt_BR |
Title | Caffeoylquinic acids from antiplasmodial active extract of Xanthium cavanillesii fruits and their molecular modelling studies | pt_BR |
Type | Article | pt_BR |
DOI | 10.1080/14786419.2016.1219856 | |
Abstract | The 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). | pt_BR |
Affilliation | Universidade Federal de São João del-Rei. Laboratório de Química Farmacêutica Medicinal. Divinópolis, MG, Brasil | pt_BR |
Affilliation | Universidade Estadual de Feira de Santana. Laboratórios de Fitoquímica e Modelagem Molecular. Feira de Santana, BA, Brasil | pt_BR |
Affilliation | Universidade Estadual de Feira de Santana. Laboratórios de Fitoquímica e Modelagem Molecular. Feira de Santana, BA, Brasil | pt_BR |
Affilliation | Fundação Oswaldo Cruz. Centro de Pesquisas Gonçalo Moniz. Salvador, BA, Brasil | pt_BR |
Affilliation | Fundação Oswaldo Cruz. Centro de Pesquisas Gonçalo Moniz. Salvador, BA, Brasil | pt_BR |
Affilliation | Universidade Católica de Pelotas. Laboratório de Química Faramcêutica. Pelotas, RS, Brasil | pt_BR |
Affilliation | Universidade Estadual de Feira de Santana. Laboratórios de Fitoquímica e Modelagem Molecular. Feira de Santana, BA, Brasil | pt_BR |
Subject | Xanthium cavanillesii | pt_BR |
Subject | Caffeoyl quinic acid | pt_BR |
Subject | Antiplasmodial activity | pt_BR |
Subject | PfAT Pase | pt_BR |
DeCS | Xanthium | pt_BR |