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Molecules 2016, 21(10), 1369; doi:10.3390/molecules21101369

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

School of Chemical Sciences, University of Auckland, 23 Symonds Street, 1142 Auckland, New Zealand
Department of Chemistry, University of Ghana, LG 56, Legon-Accra, Ghana
Department of Biochemistry and Biotechnology, Kwame Nkrumah University of Science and Technology, Kumasi, Ghana
Botany Department, University of Ghana, LG 55, Legon-Accra, Ghana
Centre for Plant Medicine Research, 73, Mampong-Akuapem, Ghana
Author to whom correspondence should be addressed.
Academic Editor: Thomas J. Schmidt
Received: 14 July 2016 / Revised: 5 October 2016 / Accepted: 7 October 2016 / Published: 15 October 2016
(This article belongs to the Section Natural Products)
View Full-Text   |   Download PDF [2149 KB, uploaded 15 October 2016]   |  


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. View Full-Text
Keywords: natural products; Candida albicans; molecular modelling; CYP51; Sclorotium; isoflavone natural products; Candida albicans; molecular modelling; CYP51; Sclorotium; isoflavone

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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Ayine-Tora, D.M.; Kingsford-Adaboh, R.; Asomaning, W.A.; Harrison, J.J.; Mills-Robertson, F.C.; Bukari, Y.; Sakyi, P.O.; Kaminta, S.; Reynisson, J. Coumarin Antifungal Lead Compounds from Millettia thonningii and Their Predicted Mechanism of Action. Molecules 2016, 21, 1369.

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