Open AccessMechanistic Modeling of Monoglyceride Lipase Covalent Modification Elucidates the Role of Leaving Group Expulsion and Discriminates Inhibitors with High and Low Potency
Author(s) -
Francesca Galvani,
Laura Scalvini,
Silvia Rivara,
Alessio Lodola,
Marco Mor
Publication year - 2022
Publication title -
journal of chemical information and modeling
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.24
H-Index - 160
eISSN - 1549-960X
pISSN - 1549-9596
DOI - 10.1021/acs.jcim.2c00140
Subject(s) - monoacylglycerol lipase , chemistry , pyrazole , lipase , stereochemistry , covalent bond , ic50 , monoglyceride , combinatorial chemistry , molecular dynamics , leaving group , enzyme , computational chemistry , biochemistry , endocannabinoid system , organic chemistry , in vitro , receptor , fatty acid , catalysis
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