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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...

Πλήρης περιγραφή

Αποθηκεύτηκε σε:
Λεπτομέρειες βιβλιογραφικής εγγραφής
Τόπος έκδοσης:J Am Chem Soc
Κύριοι συγγραφείς: 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.
Μορφή: Artigo
Γλώσσα:Inglês
Έκδοση: 2017
Θέματα:
Διαθέσιμο 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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