Discovery of potential negative allosteric modulators of mGluR5 from natural products using pharmacophore modeling, molecular docking, and molecular dynamics simulation studies

作者: Ludi Jiang , Yong Li , Liansheng Qiao , Xi Chen , Yusu He

DOI: 10.1139/CJC-2015-0197

关键词: Molecular dynamicsChemistryStereochemistryAllosteric regulationSUPERFAMILYComputational biologyMetabotropic glutamate receptor 5Pharmacophore

摘要: mGluR5, which belongs to the G-protein-coupled receptor superfamily, is believed be associated with many human diseases, such as a wide range of neurological disorders, gastroesophageal reflux d...

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