Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds

[Image: see text] Transcriptional repressor EthR from Mycobacterium tuberculosis is a valuable target for antibiotic booster drugs. We previously reported a virtual screening campaign to identify EthR inhibitors for development. Two ligand binding orientations were often proposed, though only the to...

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Detalles Bibliográficos
Autores principales: Tatum, Natalie J., Duarte, Fernanda, Kamerlin, Shina C. L., Pohl, Ehmke
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6503467/
https://www.ncbi.nlm.nih.gov/pubmed/30965004
http://dx.doi.org/10.1021/acs.jpclett.9b00741

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6503467/
https://www.ncbi.nlm.nih.gov/pubmed/30965004
http://dx.doi.org/10.1021/acs.jpclett.9b00741

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