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- W2965884567 abstract "Aim: A structural model of chorismate synthase (CS) from the pathogenic fungus Candida albicans was used for virtual screening simulations. Methods: Docking, molecular dynamics, cell growth inhibition and protein binding assays were used for search and validation. Results: Two molecules termed CS8 and CaCS02 were identified. Further studies of the minimal inhibitory concentration demonstrated fungicidal activity against Paracoccidioides brasiliensis with a minimal inhibitory concentration and minimal fungicidal concentration of 512 and 32 μg·ml -1 for CS8 and CaCS02, respectively. In addition, CaCS02 showed a strong synergistic effect in combination with amphotericin B without cytotoxic effects. In vitro studies using recombinant CS from P. brasiliensis showed IC 50 of 29 μM for CaCS02 supporting our interpretation that inhibition of CS causes the observed fungicidal activity." @default.
- W2965884567 created "2019-08-13" @default.
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- W2965884567 date "2019-07-01" @default.
- W2965884567 modified "2023-10-01" @default.
- W2965884567 title "New inhibitors of chorismate synthase present antifungal activity against <i>Paracoccidioides brasiliensis</i>" @default.
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- W2965884567 doi "https://doi.org/10.2217/fmb-2019-0052" @default.
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