Structural basis for the high-affinity binding of pyrrolotriazine inhibitors of p38 MAP kinase (original) (raw)

Complex Structure Modeling of p38 MAP Kinase and Pyridyl-pyrrole Compounds

Shuichi Miyamoto

Chem-Bio Informatics Journal, 2001

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Dissection of the Recognition Properties of p38 MAP Kinase. Determination of the Binding Mode of a New Pyridinyl−Heterocycle Inhibitor Family

Modesto Orozco

Journal of Medicinal Chemistry, 2007

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Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity

Stephen O'Keefe

Nature structural biology, 2003

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Structural basis for p38α MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity

Giovanna Scapin

Nature Structural Biology, 2003

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The structural basis for the specificity of pyridinylimidazole inhibitors of p38 MAP kinase

Mark Murcko

Chemistry & Biology, 1997

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Pyridazine based inhibitors of p38 MAPK

Stephen O'Keefe

Bioorganic & Medicinal Chemistry Letters, 2002

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Structure−Activity Relationships of the p38α MAP Kinase Inhibitor 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)naph- thalen-1-yl]urea (BIRB 796)

Jeffrey Madwed

Journal of Medicinal Chemistry, 2003

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p38α MAP Kinase C-Terminal Domain Binding Pocket Characterized by Crystallographic and Computational Analyses

Davide Moiani

Journal of Molecular Biology, 2009

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The discovery and initial optimisation of pyrrole-2-carboxamides as inhibitors of p38α MAP kinase

Paul Bamborough

Bioorganic & Medicinal Chemistry Letters, 2010

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Assessment of the putative binding conformation of a pyrazolopyridine class of inhibitors of MAPKAPK2 using computational studies

Sreedhara Voleti

European Journal of Medicinal Chemistry, 2010

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Design, synthesis and activity of a potent, selective series of N -aryl pyridinone inhibitors of p38 kinase

Win Naing

Bioorganic & Medicinal Chemistry Letters, 2011

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Discovery of PH-797804, a highly selective and potent inhibitor of p38 MAP kinase

Brian Hickory, Kevin D Jerome, Jeff Hitchcock

Bioorganic & Medicinal Chemistry Letters, 2011

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Structural basis of inhibitor selectivity in MAP kinases

Sherin S. Abdel-Meguid

Structure, 1998

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Co-crystal structure determination and cellular evaluation of 1,4-dihydropyrazolo[4,3-c] [1,2] benzothiazine 5,5-dioxide p38α MAPK inhibitors

Maria Letizia Barreca

Biochemical and Biophysical Research Communications, 2019

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Molecular Basis for p38 Protein Kinase Inhibitor Specificity

Stephen de Laszlo

Biochemistry, 1999

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Development of a Binding Model to Protein Tyrosine Kinases for Substituted Pyrido[2,3- d ]pyrimidine Inhibitors ‖

Hollis Showalter

Journal of Medicinal Chemistry, 1998

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Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38α MAP kinase inhibitors

Jeffrey Tredup, Gary Schieven

Bioorganic & Medicinal Chemistry Letters, 2008

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Pyrazolo[1,5-a]pyridines as p38 Kinase Inhibitors

Stanley Chamberlain

Organic Letters, 2005

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The Discovery of Orally Active Triaminotriazine Aniline Amides as Inhibitors of p38 MAP Kinase

jeffrey letourneau

Journal of Medicinal Chemistry, 2004

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Effect of the distal C162S mutation on the energetics of drug binding to p38α MAP kinase

Victoria Doseeva

Archives of Biochemistry and Biophysics, 2008

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Pyrroles and other heterocycles as inhibitors of P38 kinase

Stephen de Laszlo, Malcolm Maccoss

Bioorganic & Medicinal Chemistry Letters, 1998

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Synthesis, Crystal Structure, and Activity of Pyrazole-Based Inhibitors of p38 Kinase

Huey Shieh

Journal of Medicinal Chemistry, 2007

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p38 MAP kinase inhibitors. Part 6: 2-Arylpyridazin-3-ones as templates for inhibitor design

Giovanna Scapin

Bioorganic & Medicinal Chemistry Letters, 2006

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ACCOUNT 1564ű 1564 account Process Research and Development for Heterocyclic p38 MAP Kinase Inhibitors Heterocyclic p38 MAP Kinase Inhibitor s

ramu reddy

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Pyrazolo[3,4- c ]pyridazines as Novel and Selective Inhibitors of Cyclin-Dependent Kinases

Ana Beatriz Rojas Ramos

Journal of Medicinal Chemistry, 2005

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Identification of (1E, 3E)-1, 3-bis [(2-hydroxy- 1-naphthyl) methylene] Urea as Mutated MAP Kinase P38 Inhibitor through Reverse Pharmacophore Mapping Approach: Green Synthesis, Characterisation and in silico Docking analysis

Dr Inamul Hasan Madar

Indian Journal of Pharmaceutical Education and Research

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Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives

Stephane BACH

Journal of Biological Chemistry, 2005

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Mechanism of action of pyridazine analogues on protein tyrosine phosphatase 1B (PTP1B)

Kurt Benkestock

Bioorganic & Medicinal Chemistry Letters, 2004

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Discovery of pyrrolo[2,1-f][1,2,4]triazine C6-ketones as potent, orally active p38α MAP kinase inhibitors

Gary Schieven

Bioorganic & Medicinal Chemistry Letters, 2011

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Discovery and Evaluation of 7-Alkyl-1,5-bis-aryl-pyrazolopyridinones as Highly Potent, Selective, and Orally Efficacious Inhibitors of p38α Mitogen-Activated Protein Kinase ⊥ ⊥ Atomic coordinates and structure factors for crystal structure of compound 3d with p38α can be accessed using PDB code 3LHJ

Helen McBride, Ryan Wurz

Journal of Medicinal Chemistry, 2010

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17. 2013_Med Chem Res.pdf

Vijay Parmar

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Evaluation of the combination mode and features of p38 MAPK inhibitors: construction of different pharmacophore models and molecular docking

liyu zhao

Molecular Simulation, 2019

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