ArticleMemorias do Instituto Oswaldo Cruz2015
Structure-based drug design studies of the interactions of ent-kaurane diterpenes derived from Wedelia paludosa with the Plasmodium falciparum sarco/endoplasmic reticulum Ca²⁺-ATPase PfATP6.
Article in Memorias do Instituto Oswaldo Cruz, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- Evaluation of antiplasmodial activity in silico and in vitro of N-acylhydrazone derivatives.BMC chemistry · 2022Article
- ANS Interacts with the CaJournal of fluorescence · 2020Article
- Brazilian malaria molecular targets (BraMMT): selected receptors for virtual high-throughput screening experiments.Memorias do Instituto Oswaldo Cruz · 2019Article
- Octopus: a platform for the virtual high-throughput screening of a pool of compounds against a set of molecular targets.Journal of molecular modeling · 2017Article
- Successful application of virtual screening and molecular dynamics simulations against antimalarial molecular targets.Memorias do Instituto Oswaldo Cruz · 2016Article
- Calcium-dependent Protein Kinases in Malaria Parasite Development and Infection.Cell transplantationArticle
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Authors and funding
7 authors.
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Abstract
Malaria is responsible for more deaths around the world than any other parasitic disease. Due to the emergence of strains that are resistant to the current chemotherapeutic antimalarial arsenal, the search for new antimalarial drugs remains urgent though hampered by a lack of knowledge regarding the molecular mechanisms of artemisinin resistance. Semisynthetic compounds derived from diterpenes from the medicinal plant Wedelia paludosa were tested in silico against the Plasmodium falciparum Ca2+-ATPase, PfATP6. This protein was constructed by comparative modelling using the three-dimensional structure of a homologous protein, 1IWO, as a scaffold. Compound 21 showed the best docking scores, indicating a better interaction with PfATP6 than that of thapsigargin, the natural inhibitor. Inhibition of PfATP6 by diterpene compounds could promote a change in calcium homeostasis, leading to parasite death. These data suggest PfATP6 as a potential target for the antimalarial ent-kaurane diterpenes.
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