A molecular docking strategy identifies eosin B as a non-active site inhibitor of protozoal bifunctional thymidylate synthase-dihydrofolate reductase

Journal of Biological Chemistry

Volumn 278, Issue 16, 2003, Pages 14092-14100

  Atreya, Chloé E ^a   Johnson, Eric F ^a   Irwin, John J ^b   Dow, Antonia ^a   Massimine, Kristen M ^a   Coppens, Isabelle ^a   Stempliuk, Valeska ^c   Beverley, Stephen ^c   Joiner, Keith A ^a   Shoichet, Brian K ^b   Anderson, Karen S ^a  

^a YALE UNIVERSITY SCHOOL OF MEDICINE   (United States)

^b NORTHWESTERN UNIVERSITY   (United States)

^c WASHINGTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CELLS; ENZYME INHIBITION; GROWTH KINETICS; MOLECULAR DYNAMICS; POLYPEPTIDES;

MOLECULAR DOCKING;

ENZYMES;

ARGININE; DIHYDROFOLATE REDUCTASE; DIHYDROFOLATE REDUCTASE INHIBITOR; EOSIN; EOSIN B; GLUTAMIC ACID; POLYPEPTIDE; THYMIDYLATE SYNTHASE; THYMIDYLATE SYNTHASE INHIBITOR; UNCLASSIFIED DRUG; ANTIPROTOZOAL AGENT; ENZYME INHIBITOR; FLUORESCEIN DERIVATIVE; MULTIENZYME COMPLEX; THYMIDYLATE SYNTHASE DIHYDROFOLATE REDUCTASE; THYMIDYLATE SYNTHASE-DIHYDROFOLATE REDUCTASE;

ARTICLE; CELL CULTURE; ENZYME ACTIVE SITE; ENZYME ANALYSIS; ENZYME INHIBITION; ENZYME KINETICS; ENZYME SUBSTRATE COMPLEX; LEISHMANIA MAJOR; NONHUMAN; PRIORITY JOURNAL; PROTOZOAL INFECTION; TOXOPLASMA GONDII; ANIMAL; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; CHO CELL; DOSE RESPONSE; HAMSTER; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; IC 50; KINETICS; METABOLISM; PH; PROTEIN BINDING; PROTEIN TERTIARY STRUCTURE; TIME; TOXOPLASMA;

LEISHMANIA MAJOR; TOXOPLASMA GONDII;

ANIMALS; ANTIPROTOZOAL AGENTS; ARGININE; BINDING SITES; CHO CELLS; CHROMATOGRAPHY, HIGH PRESSURE LIQUID; CRICETINAE; DOSE-RESPONSE RELATIONSHIP, DRUG; ENZYME INHIBITORS; FLUORESCEINS; GLUTAMIC ACID; HYDROGEN-ION CONCENTRATION; INHIBITORY CONCENTRATION 50; KINETICS; LEISHMANIA MAJOR; MODELS, MOLECULAR; MULTIENZYME COMPLEXES; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; TETRAHYDROFOLATE DEHYDROGENASE; THYMIDYLATE SYNTHASE; TIME FACTORS; TOXOPLASMA;

EID: 0038529740     PISSN: 00219258     EISSN: None     Source Type: Journal    
DOI: 10.1074/jbc.M212690200     Document Type: Article

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