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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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Detalhes bibliográficos
Publicado no:J Am Chem Soc
Main Authors: 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.
Formato: Artigo
Idioma:Inglês
Publicado em: 2017
Assuntos:
Acesso em linha: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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