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|Title: ||Coumarin Antifungal Lead Compounds from Millettia thonningii and Their Predicted Mechanism of Action|
|Authors: ||Ayine-Tora, Daniel M.|
Asomaning, William A.
Harrison, Jerry J.E.K.
Mills-Robertson, Felix C.
|Keywords: ||natural products|
|Issue Date: ||15-Oct-2016|
|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
|Description: ||An article published by MDPI and also available at doi:10.3390/molecules21101369|
|Appears in Collections:||College of Science|
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