Structural and docking studies of potent ethionamide boosters

• Published in: Acta crystallographica. Section C, Crystal structure communications Vol. 69; no. 11; pp. 1243 - 1250
• Main Authors: Tatum, Natalie J., Villemagne, Baptiste, Willand, Nicolas, Deprez, Benoit, Liebeschuetz, John W., Baulard, Alain R., Pohl, Ehmke
• Format: Journal Article
• Language: English
• Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England International Union of Crystallography 01.11.2013; Wiley Subscription Services, Inc
• Subjects: Antitubercular Agents - chemistry; Antitubercular Agents - pharmacology; Binding; Binding Sites; Channels; Chemical compounds; Crystal structure; Crystallography, X-Ray; Death; Docking; docking studies; Drugs; Ethionamide - chemistry; Ethionamide - pharmacology; EthR; Extensively Drug-Resistant Tuberculosis - drug therapy; Infectious diseases; Inhibitors; Life Sciences; Models, Molecular; Mycobacterium tuberculosis - chemistry; Mycobacterium tuberculosis - drug effects; Prodrugs - chemistry; Prodrugs - pharmacology; structure-based drug design; Tuberculosis; EthR; crystal structure; structure-based drug design; docking studies; tuberculosis

Tuberculosis remains the second only to HIV as the leading cause of death by infectious disease worldwide, and was responsible for 1.4 million deaths globally in 2011. One of the essential drugs of the second‐line antitubercular regimen is the prodrug ethionamide, introduced in the 1960s. Ethionamid...