Strategic use of conformational bias and structure based design to identify potent JAK3 inhibitors with improved selectivity against the JAK family and the kinome

Bioorganic and Medicinal Chemistry Letters

Volumn 23, Issue 9, 2013, Pages 2793-2800

  Lynch, Stephen M ^a   Devicente, Javier ^a   Hermann, Johannes C ^a   Jaime Figueroa, Saul ^a   Jin, Sue ^a   Kuglstatter, Andreas ^b   Li, Hongju ^a   Lovey, Allen ^a   Menke, John ^a   Niu, Linghao ^a   Patel, Vaishali ^a   Roy, Douglas ^a   Soth, Michael ^a   Steiner, Sandra ^a   Tivitmahaisoon, Parcharee ^a   Vu, Minh Diem ^a   Yee, Calvin ^a  

^a Pharma Research and Early Development   (United States)

^b Discovery Technologies   (United States)

Author keywords

Conformational bias; JAK; Janus kinase; Kinase inhibitors; Kinase selectivity; Structure based design

Indexed keywords

CYSTEINE; JANUS KINASE; LIGAND; RUXOLITINIB; TOFACITINIB;

ARTICLE; CONFORMATIONAL TRANSITION; DRUG DESIGN; DRUG SELECTIVITY; ENTROPY; GENOMICS; HYDROPHOBICITY; STRUCTURE ACTIVITY RELATION; SYSTEMATIC REVIEW;

BINDING SITES; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; INDAZOLES; JANUS KINASE 1; JANUS KINASE 2; JANUS KINASE 3; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; PROTEIN STRUCTURE, TERTIARY; PYRAZINES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84876155897     PISSN: 0960894X     EISSN: 14643405     Source Type: Journal    
DOI: 10.1016/j.bmcl.2013.02.012     Document Type: Article

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