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

doi:10.1016/j.bmcl.2021.127986

	Discovery of novel reversible monoacylglycerol lipase inhibitors via docking-based virtual screening
	Xiong, Fengmin 1; Ding, Xiaoyu 2,3; Zhang, Hao 2; Luo, Xiaomin 2,3; Chen, Kaixian 2,3; Jiang, Hualiang 2,3,4; Luo, Cheng 2,3,4; Xu, Heng 2,4
刊名	BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
	2021-06-01
卷号	41 页码:6
关键词	Monoacylglycerol lipase Inhibitor Virtual screening Inflammation
ISSN号	0960-894X
DOI	10.1016/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.
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关键词	ENDOCANNABINOID SYSTEM ; MONOGLYCERIDE LIPASE ; MOUSE MODEL ; HYDROLYSIS ; BLOCKADE ; ENZYMES ; 2-ARACHIDONOYLGLYCEROL ; METABOLISM ; HYDROLASE ; POTENT
WOS研究方向	Pharmacology & Pharmacy ; Chemistry
语种	英语
出版者	PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号	WOS:000651228800009
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/297360]
专题	中国科学院上海药物研究所
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.