Molecular Modeling of Quercetin Binding to the Peroxisome Proliferator-Activated Receptor-Gamma
Keyword(s):
The interaction between the quercetin (a generic flavonoid molecule) and the ligand binding domain of the peroxisome proliferator–activated receptor-gamma was investigated using the AutoDock software, which allows docking of molecular ligands to receptor macromolecules. AutoDock is able to find the most favourable binding site for quercetin on the receptor ligand binding domain and to predict the binding mode. The results show that the bonding is mainly driven through hydrogen bond type interactions and suggest the existence of two favourable quercetin conformations which coexist.
2010 ◽
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pp. 2504-2516
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2011 ◽
Vol 31
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pp. 3497-3510
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2008 ◽
Vol 283
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pp. 24290-24294
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2002 ◽
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pp. 21-29
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2005 ◽
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pp. 3398-3407
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2010 ◽
Vol 70
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pp. 260-269
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