Static and dynamic interactions between GALK enzyme and known inhibitors: Guidelines to design new drugs for galactosemic patients

European Journal of Medicinal Chemistry

Volumn 63, Issue , 2013, Pages 423-434

  Chiappori, Federica ^a   Merelli, Ivan ^a   Milanesi, Luciano ^a   Marabotti, Anna ^a,b  

^a CNR   (Italy)

^b UNIVERSITY OF SALERNO   (Italy)

Author keywords

Docking; Drug discovery; Galactosemia; Molecular dynamics simulations; Pharmacophore; Rare disease

Indexed keywords

ENZYME INHIBITOR; GALACTOKINASE; GALACTOKINASE INHIBITOR; LIGAND; UNCLASSIFIED DRUG;

ARTICLE; CRYSTALLOGRAPHY; DRUG DESIGN; GALACTOSEMIA; HIGH THROUGHPUT SCREENING; HUMAN; MOLECULAR DYNAMICS; SIMULATION;

BINDING SITES; BINDING, COMPETITIVE; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; GALACTOKINASE; GALACTOSE; GALACTOSEMIAS; HUMANS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; STATIC ELECTRICITY; SUBSTRATE SPECIFICITY; THERMODYNAMICS;

EID: 84875018353     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2013.02.021     Document Type: Article

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