Overcoming the Limitations of Fragment Merging: Rescuing a Strained Merged Fragment Series Targeting Mycobacterium tuberculosis CYP121

Freedom to merge: A combination of crystal structure examination and in silico predictions made it possible to overcome the conformational limitations of fragment merging and escape the internal strain in a series of weakly binding merged fragments that target M. tuberculosis CYP121. The insights at...

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Bibliographic Details
Published in:ChemMedChem
Main Authors: Hudson, Sean A., Surade, Sachin, Coyne, Anthony G., McLean, Kirsty J., Leys, David, Munro, Andrew W., Abell, Chris
Format: Artigo
Language:Inglês
Published: WILEY‐VCH Verlag 2013
Subjects:
Communications
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC4281926/
https://ncbi.nlm.nih.gov/pubmed/23788280
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/cmdc.201300219
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