Imatinib (Gleevec at) conformations observed in single crystals, protein-Imatinib co-crystals and molecular dynamics: Implications for drug selectivity

Journal of Molecular Structure

Volumn 1018, Issue , 2012, Pages 107-112

  Golzarroshan, B ^a   Siddegowda, M S ^b   Li, Hong Qi ^c   Yathirajan, H S ^b   Narayana, B ^d   Rathore, R S ^a  

^a UNIVERSITY OF HYDERABAD   (India)

^b UNIVERSITY OF MYSORE   (India)

^c DONGHUA UNIVERSITY   (China)

^d MANGALORE UNIVERSITY   (India)

Author keywords

Crystal structure; Gleevec; Glivec; Imatinib picrate; Protein ligand structure; STI 571

Indexed keywords

BINDING MODES; BINDING PATTERN; CO-CRYSTALS; DRUG MOLECULES; DYNAMICS SIMULATION; GLEEVEC; GLIVEC; HIGH SELECTIVITY; IMATINIB; SMALL MOLECULES; STI-571; STRUCTURAL INSIGHTS; STRUCTURE AND DYNAMICS;

BINDING ENERGY; CONFORMATIONS; CRYSTAL STRUCTURE; DRUG INTERACTIONS; MOLECULAR DYNAMICS; MOLECULES; X RAY CRYSTALLOGRAPHY;

SINGLE CRYSTALS;

EID: 84861677743     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2012.02.052     Document Type: Conference Paper

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