Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor

[Image: see text] Coordination of the ammonium group of Lys32 in the active site of human macrophage migration inhibitory factor (MIF) using a 1,7-naphthyridin-8-one instead of a quinoline is investigated. Both gas- and aqueous-phase DFT calculations for model systems indicate potential benefits for...

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Bibliografske podrobnosti
izdano v:ACS Med Chem Lett
Main Authors: Dawson, Thomas K., Dziedzic, Pawel, Robertson, Michael J., Cisneros, José A., Krimmer, Stefan G., Newton, Ana S., Tirado-Rives, Julian, Jorgensen, William L.
Format: Artigo
Jezik:Inglês
Izdano: American Chemical Society 2017
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC5733268/
https://ncbi.nlm.nih.gov/pubmed/29259749
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsmedchemlett.7b00384
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