Structural basis for molecular recognition of G protein-coupled estrogen receptor by selected bisphenols
Xiuchang Liu, Qiao Xue, Huazhou Zhang, Jianjie Fu, Aiqian Zhang
Topics & Concepts
ChemistryBisphenolSteric effectsGPERHydrogen bondvan der Waals forceEstrogen receptorMolecular dynamicsSolvationLipophilicityIntermolecular forceLigand (biochemistry)Bisphenol AStereochemistryHydrophobic effectEstrogen receptor alphaComputational chemistryMoleculeReceptorOrganic chemistryBiochemistryCancerInternal medicineBreast cancerEpoxyMedicineEstrogen and related hormone effectsEffects and risks of endocrine disrupting chemicalsComputational Drug Discovery Methods