Evaluating the contribution of transition state destabilization to changes in the residence time of triazole-based InhA inhibitors

A critical goal of lead compound selection and optimization is to maximize target engagement whilst minimizing off-target binding. Since target engagement is a function of both the thermodynamics and kinetics of drug-target interactions, it follows that the structures of both the ground states and t...

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Vydáno v:J Am Chem Soc
Hlavní autoři: Spagnuolo, Lauren A., Eltschkner, Sandra, Yu, Weixuan, Daryaee, Fereidoon, Davoodi, Shabnam, Knudson, Susan E., Allen, Eleanor K. H., Merino, Jonathan, Pschibul, Annica, Moree, Ben, Thivalapill, Neil, Truglio, James J., Salafsky, Joshua, Slayden, Richard A., Kisker, Caroline, Tonge, Peter J.
Médium: Artigo
Jazyk:Inglês
Vydáno: 2017
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Article
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC5357606/
https://ncbi.nlm.nih.gov/pubmed/28151657
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jacs.6b11148
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