ABSTRACT
Objective: To discover and develop novel monoacylglycerol lipase (MAGL) inhibitors. Methods: Computational screening, rational structure analysis and biological assessment was used. Results: A series of natural flavonoid MAGL inhibitors were identified. Compound 9 (quercetin) presented the highest activity with an IC50 value of 36 μmol/L. Conclusion: Several natural flavonoid MAGL inhibitors were identified, which are expected to bring novel hits for discovery of MAGL inhibitors.
ABSTRACT
Objective·To discover and develop novel monoacylglycerol lipase (MAGL) inhibitors.Methods·Computational screening,rational structure analysis and biological assessment was used.Results·A series of natural flavonoid MAGL inhibitors were identified.Compound 9 (quercetin) presented the highest activity with an IC50 value of 36 μmol/L.Conclusion·Several natural flavonoid MAGL inhibitors were identified,which are expected to bring novel hits for discovery ofMAGL inhibitors.