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

Molecules

卷:21

Yahaya Bukari¹  Sylvester Kaminta²  Felix C. Mills-Robertson³  Robert Kingsford-Adaboh⁴  William A. Asomaning⁴  Patrick O. Sakyi⁴  Jerry J.E.K. Harrison⁴  Jóhannes Reynisson⁵  Daniel M. Ayine-Tora⁵ 

[1] Botany Department, University of Ghana, LG 55, Legon-Accra, Ghana;

[2] Centre for Plant Medicine Research, 73, Mampong-Akuapem, Ghana;

[3] Department of Biochemistry and Biotechnology, Kwame Nkrumah University of Science and Technology, Kumasi, Ghana;

[4] Department of Chemistry, University of Ghana, LG 56, Legon-Accra, Ghana;

[5] School of Chemical Sciences, University of Auckland, 23 Symonds Street, 1142 Auckland, New Zealand;

关键词: natural products;    Candida albicans;    molecular modelling;    CYP51;    Sclorotium;    isoflavone;   

DOI  :  10.3390/molecules21101369

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown