In silico discovery of a compound with nanomolar affinity to antithrombin causing partial activation and increased heparin affinity

Journal of Medicinal Chemistry

Volumn 55, Issue 14, 2012, Pages 6403-6412

  Navarro Fernandez J ^a   Perez Sanchez H ^a,b   Martinez Martinez I ^a   Meliciani, I ^b   Guerrero, J A ^a   Vicente, V ^a   Corral, J ^a   Wenzel, W ^b  

^a UNIVERSITY OF MURCIA   (Spain)

^b KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ANTICOAGULANT AGENT; ANTITHROMBIN; BLOOD CLOTTING FACTOR 10A; DEXTRO MYOINOSITOL 3,4,5,6 TETRAKISPHOSPHATE; FONDAPARINUX; HEPARIN; INOSITOL DERIVATIVE; LOW MOLECULAR WEIGHT HEPARIN; PHOSPHATE; UNCLASSIFIED DRUG;

ANTITHROMBIN DEFICIENCY; ARTICLE; BINDING AFFINITY; CHEMICAL REACTION; CITRULLINATION; COMPUTER MODEL; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; DRUG BINDING SITE; DRUG PROTEIN BINDING; ENDOTHELIUM CELL; FLUORESCENCE ANALYSIS; HUMAN; HUMAN CELL; ISOTHERMAL TITRATION CALORIMETRY; PROTEIN DOMAIN; THROMBOEMBOLISM;

ANTITHROMBINS; COMPUTATIONAL BIOLOGY; DRUG DISCOVERY; DRUG EVALUATION, PRECLINICAL; HEPARIN; HUMANS; INOSITOL PHOSPHATES; MODELS, MOLECULAR; PROTEIN STRUCTURE, TERTIARY; REPRODUCIBILITY OF RESULTS;

EID: 84864186313     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm300621j     Document Type: Article

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