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

Daniel M. Ayine-Tora, Robert Kingsford-Adaboh, William A. Asomaning, Jerry J.E.K. Harrison, Felix C. Mills-Robertson, Yahaya Bukari, Patrick O. Sakyi, Sylvester Kaminta, Jóhannes Reynisson

Research output: Contribution to journalArticlepeer-review

25 Citations (Scopus)

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.

Original languageEnglish
Article number1369
JournalMolecules
Volume21
Issue number10
DOIs
Publication statusPublished - Oct 2016

Keywords

  • Candida albicans
  • Cyp51
  • Isoflavone
  • Molecular modelling
  • Natural products
  • Sclorotium

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