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Discovery of novel reversible monoacylglycerol lipase inhibitors via docking-based virtual screening

文献类型：期刊论文

作者Xiong, Fengmin1; Ding, Xiaoyu2,3; Zhang, Hao2; Luo, Xiaomin2,3; Chen, Kaixian2,3; Jiang, Hualiang2,3,4; Luo, Cheng2,3,4; Xu, Heng2,4
刊名BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
出版日期2021-06-01
卷号41页码:6
关键词Monoacylglycerol lipase Inhibitor Virtual screening Inflammation
ISSN号0960-894X
DOI10.1016/j.bmcl.2021.127986
通讯作者Luo, Cheng(cluo@simm.ac.cn) ; Xu, Heng(idaheng@simm.ac.cn)
英文摘要Monoacylglycerol lipase (MAGL) is the major enzyme that catalyzes the hydrolysis of monoacylglycerols (MAGs). MAGL is responsible for degrading 2-arachidonoylglycerol (2-AG) to arachidonic acid (AA) and glycerol in the brain and specific tissues. The inhibition of MAGL could attenuate the inflammatory response. Here, we report a series of reversible non-covalent MAGL inhibitors via virtual screening combined with biochemical analysis. The hit, DC630-8 showed low-micromolar activity against MAGL in vitro, and exhibited significant anti-inflammatory effects.
WOS关键词ENDOCANNABINOID SYSTEM ; MONOGLYCERIDE LIPASE ; MOUSE MODEL ; HYDROLYSIS ; BLOCKADE ; ENZYMES ; 2-ARACHIDONOYLGLYCEROL ; METABOLISM ; HYDROLASE ; POTENT
资助项目Postdoctoral Research Foundation of China[2020 M681430] ; Postdoctoral Research Foundation of China[2019 M661673] ; National Natural Science Foundation of China[91853205] ; National Natural Science Foundation of China[81625022] ; National Natural Science Foundation of China[81903538]
WOS研究方向Pharmacology & Pharmacy ; Chemistry
语种英语
WOS记录号WOS:000651228800009
出版者PERGAMON-ELSEVIER SCIENCE LTD
源URL[http://119.78.100.183/handle/2S10ELR8/297360]  
专题新药研究国家重点实验室
通讯作者Luo, Cheng; Xu, Heng
作者单位1.Nanchang Univ, Sch Pharm, Nanchang 330006, Jiangxi, Peoples R China
2.Chinese Acad Sci, Drug Discovery & Design Ctr, Shanghai Inst Mat Med, State Key Lab Drug Res, Shanghai 201203, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
4.UCAS, Hangzhou Inst Adv Study, Sch Pharmaceut Sci & Technol, Hangzhou 310024, Peoples R China
推荐引用方式
GB/T 7714		 Xiong, Fengmin,Ding, Xiaoyu,Zhang, Hao,et al. Discovery of novel reversible monoacylglycerol lipase inhibitors via docking-based virtual screening[J]. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS,2021,41:6.
APA Xiong, Fengmin.,Ding, Xiaoyu.,Zhang, Hao.,Luo, Xiaomin.,Chen, Kaixian.,...&Xu, Heng.(2021).Discovery of novel reversible monoacylglycerol lipase inhibitors via docking-based virtual screening.BIOORGANIC & MEDICINAL CHEMISTRY LETTERS,41,6.
MLA Xiong, Fengmin,et al."Discovery of novel reversible monoacylglycerol lipase inhibitors via docking-based virtual screening".BIOORGANIC & MEDICINAL CHEMISTRY LETTERS 41(2021):6.

入库方式： OAI收割

来源：上海药物研究所

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