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Please use this identifier to cite or link to this item: http://hdl.handle.net/123456789/12873

Title: Coumarin Antifungal Lead Compounds from Millettia thonningii and Their Predicted Mechanism of Action
Authors: Ayine-Tora, Daniel M.
Kingsford-Adaboh, Robert
Asomaning, William A.
Harrison, Jerry J.E.K.
Mills-Robertson, Felix C.
et. al
Keywords: natural products
Candida albicans
molecular modelling
CYP51
Sclorotium
isoflavone
Issue Date: 15-Oct-2016
Publisher: MDPI
Abstract: Fungal pathogens continue to pose challenges to humans and plants despite efforts to control them. Two coumarins, robustic acid and thonningine-C isolated from Millettia thonningii, show promising activity against the fungus Candida albicans with minimum fungicidal concentration of 1.0 and 0.5 mg/mL, respectively. Molecular modelling against the putative bio-molecular target, lanosterol 14α-demethylase (CYP51), revealed a plausible binding mode for the active compounds, in which the hydroxyl group binds with a methionine backbone carboxylic group blocking access to the iron catalytic site. This binding disrupts the synthesis of several important sterols for the survival of fungi.
Description: An article published by MDPI and also available at doi:10.3390/molecules21101369
URI: http://hdl.handle.net/123456789/12873
Appears in Collections:College of Science

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