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Coumarin Antifungal Lead Compounds from Millettia thonningii and Their Predicted Mechanism of Action

2016; Multidisciplinary Digital Publishing Institute; Volume: 21; Issue: 10 Linguagem: Inglês

10.3390/molecules21101369

1433-1373

Daniel Moscoh Ayine‐Tora, Robert Kingsford-Adaboh, William A. Asomaning, Jerry Harrison, Felix Charles Mills-Robertson, Yahaya Bukari, Patrick O. Sakyi, Sylvester Kaminta, Jóhannes Reynisson,

Microbial Natural Products and Biosynthesis

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.