Ontology highlight
ABSTRACT:
SUBMITTER: Tyukhtenko S
PROVIDER: S-EPMC7595040 | biostudies-literature | 2020 Oct
REPOSITORIES: biostudies-literature
Tyukhtenko Sergiy S Ma Xiaoyu X Rajarshi Girija G Karageorgos Ioannis I Anderson Kyle W KW Hudgens Jeffrey W JW Guo Jason J JJ Nasr Mahmoud L ML Zvonok Nikolai N Vemuri Kiran K Wagner Gerhard G Makriyannis Alexandros A
Scientific reports 20201028 1
Inhibition of human Monoacylglycerol Lipase (hMGL) offers a novel approach for treating neurological diseases. The design of inhibitors, targeting active-inactive conformational transitions of the enzyme, can be aided by understanding the interplay between structure and dynamics. Here, we report the effects of mutations within the catalytic triad on structure, conformational gating and dynamics of hMGL by combining kinetics, NMR, and HDX-MS data with metadynamics simulations. We found that point ...[more]