Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.
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Beyond picomolar affinities: quantitative aspects of noncovalent and covalent binding of drugs to proteinsSmall Molecule Recognition of c-Src via the Imatinib-Binding ConformationSynthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidasesNatural-product-derived fragments for fragment-based ligand discoveryBioGPS: navigating biological space to predict polypharmacology, off-targeting, and selectivity.An efficient rapid system for profiling the cellular activities of molecular libraries.Fragment approaches in structure-based drug discoveryNovel inhibitors of anthrax edema factor.Review article: high-throughput affinity-based technologies for small-molecule drug discovery.Structural basis for the modulation of CDK-dependent/independent activity of cyclin D1.Eastern extension of azoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase; cyano group alternatives.Hit clustering can improve virtual fragment screening: CDK2 and PARP1 case studies.Development and strategies of VEGFR-2/KDR inhibitors.Inclusion of multiple fragment types in the site identification by ligand competitive saturation (SILCS) approachThe discovery of novel protein kinase inhibitors by using fragment-based high-throughput x-ray crystallography.Insights from free-energy calculations: protein conformational equilibrium, driving forces, and ligand-binding modesIdentification of potential glutaminyl cyclase inhibitors from lead-like libraries by in silico and in vitro fragment-based screening.Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1δ and Their Structural Relation to p38α MAPK.Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery.New approaches to molecular cancer therapeutics.A decade of fragment-based drug design: strategic advances and lessons learned.An Evaluation of Explicit Receptor Flexibility in Molecular Docking Using Molecular Dynamics and Torsion Angle Molecular DynamicsSmall-molecule inhibitors binding to protein kinase. Part II: the novel pharmacophore approach of type II and type III inhibition.A Comprehensive Structural Overview of p38α MAPK in Complex with Type I Inhibitors.Novel approaches for targeting kinases: allosteric inhibition, allosteric activation and pseudokinases.Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.Non-ATP-competitive kinase inhibitors - enhancing selectivity through new inhibition strategies.Contributions of water transfer energy to protein-ligand association and dissociation barriers: Watermap analysis of a series of p38α MAP kinase inhibitors.A Comprehensive Structural Overview of p38α Mitogen-Activated Protein Kinase in Complex with ATP-Site and Non-ATP-Site Binders.A multistep docking and scoring protocol for congeneric series: Implementation on kinase DFG-out type II inhibitors.Discovery of naphthyl-N-acylhydrazone p38α MAPK inhibitors with in vivo anti-inflammatory and anti-TNF-α activity.Vinylpyridines as Building Blocks for the Photocatalyzed Synthesis of Alkylpyridines.Modeling loop backbone flexibility in receptor-ligand docking simulations.Evaluating the enthalpic contribution to ligand binding using QM calculations: effect of methodology on geometries and interaction energies.Role of Molecular Interactions and Protein Rearrangement in the Dissociation Kinetics of p38α MAP Kinase Type-I/II/III Inhibitors.Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.Application of shape-based and pharmacophore-based in silico screens for identification of Type II protein kinase inhibitors.
P2860
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P2860
Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.
description
2005 nî lūn-bûn
@nan
2005年の論文
@ja
2005年学术文章
@wuu
2005年学术文章
@zh-cn
2005年学术文章
@zh-hans
2005年学术文章
@zh-my
2005年学术文章
@zh-sg
2005年學術文章
@yue
2005年學術文章
@zh
2005年學術文章
@zh-hant
name
Identification of novel p38alp ...... ragment-based lead generation.
@en
type
label
Identification of novel p38alp ...... ragment-based lead generation.
@en
prefLabel
Identification of novel p38alp ...... ragment-based lead generation.
@en
P2093
P356
P1476
Identification of novel p38alp ...... ragment-based lead generation.
@en
P2093
Adrian L Gill
Alessandro Padova
Andrew J Woodhead
Anne Cleasby
Christopher W Murray
Deborah J Davis
Dominic Tisi
Harren Jhoti
Jayne Curry
Lindsay A Devine
P304
P356
10.1021/JM049575N
P407
P577
2005-01-01T00:00:00Z