Dual-inhibitors of STAT5 and STAT3: studies from molecular docking and molecular dynamics simulations

Journal of Molecular Modeling

Volumn 20, Issue 8, 2014, Pages 1-17

  Shao, Shengjuan ^a   Yu, Rilei ^b   Yu, Yanqing ^c   Li, Yanni ^c  

^a TAIYUAN INSTITUTE OF TECHNOLOGY   (China)

^b UNIVERSITY OF OXFORD   (United Kingdom)

^c TIANJIN UNIVERSITY   (China)

Author keywords

Dual inhibitor; MM GBSA; Molecular dynamics; STAT5 STAT3; Virtual screening

Indexed keywords

COMPOUND 304; COMPOUND 561; COMPOUND 660; PROTEIN INHIBITOR; STAT3 PROTEIN; STAT5 PROTEIN; UNCLASSIFIED DRUG; LIGAND;

ARTICLE; BINDING AFFINITY; DRUG SCREENING; DRUG TARGETING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN DOMAIN; SIMULATION; ANTAGONISTS AND INHIBITORS; CHEMISTRY; COMPUTER INTERFACE; HUMAN; HYDROGEN BOND; MOLECULARLY TARGETED THERAPY; SRC HOMOLOGY DOMAIN; THERMODYNAMICS;

DRUG EVALUATION, PRECLINICAL; HUMANS; HYDROGEN BONDING; LIGANDS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; MOLECULAR TARGETED THERAPY; SRC HOMOLOGY DOMAINS; STAT3 TRANSCRIPTION FACTOR; STAT5 TRANSCRIPTION FACTOR; THERMODYNAMICS; USER-COMPUTER INTERFACE;

EID: 84905322938     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-014-2399-x     Document Type: Article

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