Journal
MOLECULES
Volume 21, Issue 10, Pages -Publisher
MDPI
DOI: 10.3390/molecules21101369
Keywords
natural products; Candida albicans; molecular modelling; CYP51; Sclorotium; isoflavone
Funding
- Government of Ghana Graduate Studies Allowance
- Department of Chemistry, UG Graduate Assistantship
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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 14 alpha-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.
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