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Quantitative Three Dimensional Structure Linear Interaction Energy Model of 5'-O-[N-(Salicyl)sulfamoyl]adenosine and the Aryl Acid Adenylating Enzyme MbtA

MbtA (a salicyl AMP ligase) is a key target for the design of new antitubercular agents. Based on structure activity relationship (SAR) data generated in our laboratory, a structure-based model is developed to predict the binding affinities of arylacid-AMP bisubstrate inhibitors of MbtA. The approac...

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Detalhes bibliográficos
Main Authors: Labello, Nicholas P., Bennett, Eric M., Ferguson, David M., Aldrich, Courtney C.
Formato: Artigo
Idioma:Inglês
Publicado em: 2008
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2869039/
https://ncbi.nlm.nih.gov/pubmed/18959400
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jm800668u
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