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

Fungal pathogens continue to pose challenges to humans and plants despite efforts to control them. Two coumarins, robustic acid and thonningine-C isolated from , show promising activity against the fungus with minimum fungicidal concentration of 1.0 and 0.5 mg/mL, respectively. Molecular modelling a...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Molecules (Basel, Switzerland) Switzerland), 2016-10, Vol.21 (10), p.1369-1369
Hauptverfasser: Ayine-Tora, Daniel M, Kingsford-Adaboh, Robert, Asomaning, William A, Harrison, Jerry J E K, Mills-Robertson, Felix C, Bukari, Yahaya, Sakyi, Patrick O, Kaminta, Sylvester, Reynisson, Jóhannes
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:Fungal pathogens continue to pose challenges to humans and plants despite efforts to control them. Two coumarins, robustic acid and thonningine-C isolated from , show promising activity against the fungus 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.
ISSN:1420-3049
1420-3049
DOI:10.3390/molecules21101369