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

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 14?-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.

SUBMITTER: Ayine-Tora DM

PROVIDER: S-EPMC6274499 | biostudies-literature | 2016 Oct

REPOSITORIES: biostudies-literature

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

Ayine-Tora Daniel M DM Kingsford-Adaboh Robert R Asomaning William A WA Harrison Jerry J E K JJ Mills-Robertson Felix C FC Bukari Yahaya Y Sakyi Patrick O PO Kaminta Sylvester S Reynisson Jóhannes J

Molecules (Basel, Switzerland) 20161015 10

Fungal pathogens continue to pose challenges to humans and plants despite efforts to control them. Two coumarins, robustic acid and thonningine-C isolated from <i>Millettia thonningii</i>, show promising activity against the fungus <i>Candida albicans</i> 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 th ...[more]

PMID: 27754464

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Dataset Information

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

Publications

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

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