Assessment of the putative binding conformation of a pyrazolopyridine class of inhibitors of MAPKAPK2 using computational studies (original) (raw)

Structural Basis for a High Affinity Inhibitor Bound to Protein Kinase MK2

Duy Tiến Nguyễn

Journal of Molecular Biology, 2007

View PDFchevron_right

Structural basis of inhibitor selectivity in MAP kinases

Sherin S. Abdel-Meguid

Structure, 1998

View PDFchevron_right

Molecular docking and 3D-QSAR studies on the MAPKAP-K2 inhibitors

E. Pourbasheer

Medicinal Chemistry Research, 2014

View PDFchevron_right

High-resolution crystal structure of human Mapkap kinase 3 in complex with a high affinity ligand

John Barker

Protein Science, 2009

View PDFchevron_right

Structure-based lead identification of ATP-competitive MK2 inhibitors

Ruben Smeets

Bioorganic & Medicinal Chemistry Letters, 2011

View PDFchevron_right

A computational strategy to understand structure-activity relationship of 1,3-disubstituted imidazole [1,5-α] pyrazine derivatives described as ATP competitive inhibitors of the IGF-1 receptor related to Ewing sarcoma

Alejandro Giorgetti

Journal of Molecular Modeling, 2020

View PDFchevron_right

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

View PDFchevron_right

Effect of construct design on MAPKAP kinase-2 activity, thermodynamic stability and ligand-binding affinity

Barry Springer, Crafford Harris

Archives of Biochemistry and Biophysics, 2006

View PDFchevron_right

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

liyu zhao

Molecular Simulation, 2019

View PDFchevron_right

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

View PDFchevron_right

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

View PDFchevron_right

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

Stephen O'Keefe

Nature structural biology, 2003

View PDFchevron_right

Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479

Jodie Pang

Bioorganic & Medicinal Chemistry Letters, 2014

View PDFchevron_right

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

Shuichi Miyamoto

Chem-Bio Informatics Journal, 2001

View PDFchevron_right

Structural bases of protein kinase CK2 inhibition

Marco Mazzorana

2000

View PDFchevron_right

In vivo and in vitro SAR of tetracyclic MAPKAP-K2 (MK2) inhibitors. Part I

Reiner Aichholz

Bioorganic & Medicinal Chemistry Letters, 2010

View PDFchevron_right

Unravelling the structural interactions between PKR kinase domain and its small molecule inhibitors using computational approaches

Dr. Jayanta K . Pal

View PDFchevron_right

Synthesis, biological evaluation and molecular modeling studies of imidazo[1,2-a]pyridines derivatives as protein kinase inhibitors

Claire Delehouze

European journal of medicinal chemistry, 2016

View PDFchevron_right

Crystal Structures of Two Aminoglycoside Kinases Bound with a Eukaryotic Protein Kinase Inhibitor

Desiree Fong

PLoS ONE, 2011

View PDFchevron_right

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

Hollis Showalter

Journal of Medicinal Chemistry, 1998

View PDFchevron_right

Structural Bioinformatics-Based Prediction of Exceptional Selectivity of p38 MAP Kinase Inhibitor PH-797804

Zara Walden

Biochemistry, 2009

View PDFchevron_right

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

View PDFchevron_right

The Structure of the MAP2K MEK6 Reveals an Autoinhibitory Dimer

Radha Akella

Structure, 2009

View PDFchevron_right

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

Davide Moiani

Journal of Molecular Biology, 2009

View PDFchevron_right

Structure-Based Design of 2-Arylamino-4-cyclohexylmethyl-5- nitroso-6-aminopyrimidine Inhibitors of Cyclin-Dependent Kinases 1 and 2

Kerry Sayle

Bioorganic & Medicinal Chemistry Letters, 2003

View PDFchevron_right

Structure-based design and protein X-ray analysis of a protein kinase inhibitor

Pascal Furet

Bioorganic & Medicinal Chemistry Letters, 2002

View PDFchevron_right

Elucidation of binding mode and three dimensional quantitative structure–activity relationship studies of a novel series of protein kinase B/Akt inhibitors

Yasar Saleem

View PDFchevron_right

2-Aminopyridine-Based Mitogen-Activated Protein Kinase Kinase Kinase Kinase 4 (MAP4K4) Inhibitors: Assessment of Mechanism-Based Safety

Mark Niosi

Journal of Medicinal Chemistry, 2018

View PDFchevron_right

Structure-based design of 2-arylamino-4-cyclohexylmethoxy-5-nitroso- 6-aminopyrimidine inhibitors of cyclin-dependent kinase 2

Kerry Sayle

View PDFchevron_right

3D-QSAR, DOCKING STUDY, PHARMACOPHORE MODELING AND ADMET PREDICTION OF 2- AMINO-PYRAZOLOPYRIDINE DERIVATIVES AS POLO-LIKE KINASE 1 INHIBITORS

firoz khan

View PDFchevron_right

Structure‐guided discovery of cyclin‐dependent kinase inhibitors

Kamil Paruch

…, 2008

View PDFchevron_right

Computational Insights for the Discovery of Non-ATP Competitive Inhibitors of MAP Kinases

Tamer Kaoud

Current Drug Metabolism, 2012

View PDFchevron_right

A Structural Comparison of Inhibitor Binding to PKB, PKA and PKA-PKB Chimera

Tatiana McHardy

Journal of Molecular Biology, 2007

View PDFchevron_right