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

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 Millettia thonningii, show promising activity against the fungus Candida albicans with minimum fungicidal concentration of 1.0 and 0.5 mg/mL...

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Main Authors: 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
Format: Article
Language:English
Published: MDPI AG 2016-10-01
Series:Molecules
Subjects:
natural products
Candida albicans
molecular modelling
CYP51
Sclorotium
isoflavone
Online Access:http://www.mdpi.com/1420-3049/21/10/1369
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spelling doaj-4037ef6c86bc42adafe0954e790f88532020-11-25T00:12:31ZengMDPI AGMolecules1420-30492016-10-012110136910.3390/molecules21101369molecules21101369Coumarin Antifungal Lead Compounds from Millettia thonningii and Their Predicted Mechanism of ActionDaniel M. Ayine-Tora0Robert Kingsford-Adaboh1William A. Asomaning2Jerry J.E.K. Harrison3Felix C. Mills-Robertson4Yahaya Bukari5Patrick O. Sakyi6Sylvester Kaminta7Jóhannes Reynisson8School of Chemical Sciences, University of Auckland, 23 Symonds Street, 1142 Auckland, New ZealandDepartment of Chemistry, University of Ghana, LG 56, Legon-Accra, GhanaDepartment of Chemistry, University of Ghana, LG 56, Legon-Accra, GhanaDepartment of Chemistry, University of Ghana, LG 56, Legon-Accra, GhanaDepartment of Biochemistry and Biotechnology, Kwame Nkrumah University of Science and Technology, Kumasi, GhanaBotany Department, University of Ghana, LG 55, Legon-Accra, GhanaDepartment of Chemistry, University of Ghana, LG 56, Legon-Accra, GhanaCentre for Plant Medicine Research, 73, Mampong-Akuapem, GhanaSchool of Chemical Sciences, University of Auckland, 23 Symonds Street, 1142 Auckland, New ZealandFungal 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.http://www.mdpi.com/1420-3049/21/10/1369natural productsCandida albicansmolecular modellingCYP51Sclorotiumisoflavone
collection DOAJ
language English
format Article
sources DOAJ
author 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
spellingShingle 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
Coumarin Antifungal Lead Compounds from Millettia thonningii and Their Predicted Mechanism of Action
Molecules
natural products
Candida albicans
molecular modelling
CYP51
Sclorotium
isoflavone
author_facet 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
author_sort Daniel M. Ayine-Tora
title Coumarin Antifungal Lead Compounds from Millettia thonningii and Their Predicted Mechanism of Action
title_short Coumarin Antifungal Lead Compounds from Millettia thonningii and Their Predicted Mechanism of Action
title_full Coumarin Antifungal Lead Compounds from Millettia thonningii and Their Predicted Mechanism of Action
title_fullStr Coumarin Antifungal Lead Compounds from Millettia thonningii and Their Predicted Mechanism of Action
title_full_unstemmed Coumarin Antifungal Lead Compounds from Millettia thonningii and Their Predicted Mechanism of Action
title_sort coumarin antifungal lead compounds from millettia thonningii and their predicted mechanism of action
publisher MDPI AG
series Molecules
issn 1420-3049
publishDate 2016-10-01
description 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.
topic natural products
Candida albicans
molecular modelling
CYP51
Sclorotium
isoflavone
url http://www.mdpi.com/1420-3049/21/10/1369
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