TY - JOUR
T1 - Coumarin Antifungal Lead Compounds from Millettia thonningii and Their Predicted Mechanism of Action
AU - Ayine-Tora, Daniel M.
AU - Kingsford-Adaboh, Robert
AU - Asomaning, William A.
AU - Harrison, Jerry J.E.K.
AU - Mills-Robertson, Felix C.
AU - Bukari, Yahaya
AU - Sakyi, Patrick O.
AU - Kaminta, Sylvester
AU - Reynisson, Jóhannes
N1 - Publisher Copyright:
© 2016 by the authors.
PY - 2016/10
Y1 - 2016/10
N2 - 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.
AB - 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.
KW - Candida albicans
KW - Cyp51
KW - Isoflavone
KW - Molecular modelling
KW - Natural products
KW - Sclorotium
UR - http://www.scopus.com/inward/record.url?scp=84992422406&partnerID=8YFLogxK
U2 - 10.3390/molecules21101369
DO - 10.3390/molecules21101369
M3 - Article
C2 - 27754464
AN - SCOPUS:84992422406
SN - 1420-3049
VL - 21
JO - Molecules
JF - Molecules
IS - 10
M1 - 1369
ER -