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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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Pubblicato in:J Am Chem Soc
Autori principali: 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.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2017
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Accesso online: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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