Ligand-based and structure-based approaches in identifying ideal pharmacophore against c-Jun N-terminal kinase-3

Journal of Molecular Modeling

Volumn 17, Issue 1, 2011, Pages 151-163

  Kumar, B V S Suneel ^a   Kotla, Rohith ^a   Buddiga, Revanth ^a   Roy, Jyoti ^a   Singh, Sardar Shamshair ^a   Gundla, Rambabu ^a   Ravikumar, Muttineni ^a   Sarma, Jagarlapudi A R P ^a  

^a GVK BIOSCIENCES PVT LTD   (India)

Author keywords

c Jun N terminal kinase; Docking; Ligand based pharmacophore; Structure based pharmacophore

Indexed keywords

ACETONITRILE; AMINO ACID; MITOGEN ACTIVATED PROTEIN KINASE 10; MITOGEN ACTIVATED PROTEIN KINASE INHIBITOR;

ARTICLE; CRYSTAL STRUCTURE; DRUG STRUCTURE; HYDROGEN BOND; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR INTERACTION; PHARMACOPHORE; PRIORITY JOURNAL;

CATALYTIC DOMAIN; DRUG DESIGN; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; INHIBITORY CONCENTRATION 50; LIGANDS; MITOGEN-ACTIVATED PROTEIN KINASE 10; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE;

EID: 78651438310     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0701-0     Document Type: Article

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