Novel inhibitors of Mycobacterium tuberculosis dTDP-6-deoxy-l-lyxo-4- hexulose reductase (RmlD) identified by virtual screening

Bioorganic and Medicinal Chemistry Letters

Volumn 21, Issue 23, 2011, Pages 7064-7067

  Wang, Yi ^a,b   Hess, Tamara Noelle ^c   Jones, Victoria ^c   Zhou, Joe Zhongxiang ^a,b   McNeil, Michael R ^c   Andrew McCammon, J ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b HOWARD HUGHES MEDICAL INSTITUTE   (United States)

^c Department of Environmental and Radiological Health Sciences   (United States)

Author keywords

Anti tuberculsois; Computer aided drug design; l Rhamnose synthesis; M. tuberculosis; RmlD; Virtual screening

Indexed keywords

ANTIINFECTIVE AGENT; CHEMBRIDGE 5108509; NSC 371300; NSC 5426; NSC 9037; RHAMNOSE; RHAMNOSYL; THYMIDINE DIPHOSPHATE; THYMIDINE DIPHOSPHATE 6 DEOXY LEVO LYXO 4 HEXULOSE REDUCTASE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; CATALYSIS; CELL WALL; CONCENTRATION (PARAMETERS); CRYSTAL STRUCTURE; DRUG ACTIVITY; DRUG SCREENING; DRUG STRUCTURE; DRUG SYNTHESIS; ENZYME SYNTHESIS; MINIMUM INHIBITORY CONCENTRATION; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN;

ANTITUBERCULAR AGENTS; BINDING SITES; COMPUTER-AIDED DESIGN; CRYSTALLOGRAPHY, X-RAY; DRUG DISCOVERY; ENZYME ACTIVATION; ENZYME INHIBITORS; INHIBITORY CONCENTRATION 50; MODELS, MOLECULAR; MYCOBACTERIUM TUBERCULOSIS; SUGAR ALCOHOL DEHYDROGENASES;

MYCOBACTERIUM; MYCOBACTERIUM TUBERCULOSIS;

EID: 80055000294     PISSN: 0960894X     EISSN: 14643405     Source Type: Journal    
DOI: 10.1016/j.bmcl.2011.09.094     Document Type: Article

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