coumestrol and Neurodegenerative-Diseases

ERbeta has been associated with estrogen-induced promotion of memory function and neuronal survival. Based on the optimized complex structure of human ERbeta LBD bound with genistein, computer-aided structure-based virtual screening against a natural source chemical database was conducted to determine the occurrence of plant-based ERbeta-selective ligands. Twelve representative hits derived from database screening were assessed for their binding profiles to both ERs, three of which displayed over 100-fold binding selectivity to ERbeta over ERalpha.

Topics: Aging; Benzopyrans; Binding Sites; Binding, Competitive; Databases, Factual; Estrogen Receptor alpha; Estrogen Receptor beta; Fluorescence Polarization; Genistein; Humans; Ligands; Models, Molecular; Neurodegenerative Diseases; Neuroprotective Agents; Phytoestrogens; Plants; Protein Conformation; Quantitative Structure-Activity Relationship