Structure Kinetics Relationships and Molecular Dynamics Show Crucial Role for Heterocycle Leaving Group in Irreversible Diacylglycerol Lipase Inhibitors

[Image: see text] Drug discovery programs of covalent irreversible, mechanism-based enzyme inhibitors often focus on optimization of potency as determined by IC(50)-values in biochemical assays. These assays do not allow the characterization of the binding activity (K(i)) and reactivity (k(inact)) a...

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Detalles Bibliográficos
Autores principales: Janssen, Antonius P.A., van Hengst, Jacob M.A., Béquignon, Olivier J.M., Deng, Hui, van Westen, Gerard J.P., van der Stelt, Mario
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6745892/
https://www.ncbi.nlm.nih.gov/pubmed/31437392
http://dx.doi.org/10.1021/acs.jmedchem.9b00686

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6745892/
https://www.ncbi.nlm.nih.gov/pubmed/31437392
http://dx.doi.org/10.1021/acs.jmedchem.9b00686

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