Virtual screening and optimization yield low-nanomolar inhibitors of the tautomerase activity of Plasmodium falciparum macrophage migration inhibitory factor

Journal of Medicinal Chemistry

Volumn 55, Issue 22, 2012, Pages 10148-10159

  Dahlgren, Markus K ^a   Garcia, Alvaro Baeza ^b   Hare, Alissa A ^a   Tirado Rives, Julian ^a   Leng, Lin ^b   Bucala, Richard ^b   Jorgensen, William L ^a  

^a YALE UNIVERSITY   (United States)

^b YALE UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

4 PHENOXYPYRIDINE DERIVATIVE; ISOMERASE; MACROPHAGE MIGRATION INHIBITION FACTOR; PYRIDINE DERIVATIVE; PYRIMIDINE DERIVATIVE; TAUTOMERASE; UNCLASSIFIED DRUG;

ARTICLE; CONTROLLED STUDY; CRYSTAL STRUCTURE; CYTOKINE PRODUCTION; DRUG DESIGN; DRUG DETERMINATION; DRUG POTENCY; DRUG SCREENING; DRUG SELECTIVITY; DRUG SYNTHESIS; ENZYME ACTIVE SITE; ENZYME INHIBITION; IMMUNE RESPONSE; IMMUNOMODULATION; MALARIA; MOLECULAR DOCKING; NONHUMAN; PLASMODIUM FALCIPARUM; QUANTUM YIELD; STRUCTURE ACTIVITY RELATION; TAUTOMERIZATION; VIRTUAL REALITY;

ANTIMALARIALS; HIGH-THROUGHPUT SCREENING ASSAYS; HUMANS; HYDROGEN BONDING; ISOMERASES; MACROPHAGE MIGRATION-INHIBITORY FACTORS; MALARIA; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PLASMODIUM FALCIPARUM; PROTEIN BINDING; PROTOZOAN PROTEINS; SMALL MOLECULE LIBRARIES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84870051342     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm301269s     Document Type: Article

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