Type-II kinase inhibitor docking, screening, and profiling using modified structures of active kinase states
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Discovery of a novel mode of protein kinase inhibition characterized by the mechanism of inhibition of human mesenchymal-epithelial transition factor (c-Met) protein autophosphorylation by ARQ 197Rational approaches to improving selectivity in drug designExploration of type II binding mode: A privileged approach for kinase inhibitor focused drug discovery?A Novel Mode of Protein Kinase Inhibition Exploiting Hydrophobic Motifs of Autoinhibited Kinases: DISCOVERY OF ATP-INDEPENDENT INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTORDiscovery of Small Molecule RIP1 Kinase Inhibitors for the Treatment of Pathologies Associated with NecroptosisLestaurtinib inhibits histone phosphorylation and androgen-dependent gene expression in prostate cancer cellsc-Src binds to the cancer drug Ruxolitinib with an active conformationFunctional loop dynamics of the streptavidin-biotin complexKinetic barriers in the isomerization of substituted ureas: implications for computer-aided drug designImproved docking, screening and selectivity prediction for small molecule nuclear receptor modulators using conformational ensembles.Computational insights for the discovery of non-ATP competitive inhibitors of MAP kinasesReaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors.Predicting inactive conformations of protein kinases using active structures: conformational selection of type-II inhibitors.p38α MAPK pathway: a key factor in colorectal cancer therapy and chemoresistance.The flexible pocketome engine for structural chemogenomics.Discovery of tyrosine kinase inhibitors by docking into an inactive kinase conformation generated by molecular dynamics.Novel VEGFR-2 kinase inhibitors identified by the back-to-front approach.DFGmodel: predicting protein kinase structures in inactive states for structure-based discovery of type-II inhibitorsCan structural features of kinase receptors provide clues on selectivity and inhibition? A molecular modeling studyActivity of the Ste20-like kinase, SLK, is enhanced by homodimerization.Virtual screening and optimization of Type II inhibitors of JAK2 from a natural product library.Conformational analysis of the DFG-out kinase motif and biochemical profiling of structurally validated type II inhibitors.Protein kinase-inhibitor database: structural variability of and inhibitor interactions with the protein kinase P-loop.Predicting flexible loop regions that interact with ligands: the challenge of accurate scoringPocketome: an encyclopedia of small-molecule binding sites in 4DIn-silico identification of inhibitors against mutated BCR-ABL protein of chronic myeloid leukemia: a virtual screening and molecular dynamics simulation study.Fragment-Based Discovery of a Dual pan-RET/VEGFR2 Kinase Inhibitor Optimized for Single-Agent Polypharmacology.Docking and scoring with ICM: the benchmarking results and strategies for improvement.Insights from free-energy calculations: protein conformational equilibrium, driving forces, and ligand-binding modesClassifying kinase conformations using a machine learning approach.Sorafenib inhibits p38α activity in colorectal cancer cells and synergizes with the DFG-in inhibitor SB202190 to increase apoptotic responseExplaining why Gleevec is a specific and potent inhibitor of Abl kinase.Accurate calculation of mutational effects on the thermodynamics of inhibitor binding to p38α MAP kinase: a combined computational and experimental studyQuantitative Structure-activity Relationship (QSAR) Models for Docking Score Correction.Cyclin-dependent kinases: bridging their structure and function through computations.In silico fragment-based drug design.Structural basis of cell apoptosis and necrosis in TNFR signaling.Going for broke: targeting the human cancer pseudokinome.Targeting non-receptor tyrosine kinases using small molecule inhibitors: an overview of recent advances.Ibrutinib-A double-edge sword in cancer and autoimmune disorders.
P2860
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P2860
Type-II kinase inhibitor docking, screening, and profiling using modified structures of active kinase states
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on December 2008
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Type-II kinase inhibitor docki ...... ctures of active kinase states
@en
Type-II kinase inhibitor docki ...... tures of active kinase states.
@nl
type
label
Type-II kinase inhibitor docki ...... ctures of active kinase states
@en
Type-II kinase inhibitor docki ...... tures of active kinase states.
@nl
prefLabel
Type-II kinase inhibitor docki ...... ctures of active kinase states
@en
Type-II kinase inhibitor docki ...... tures of active kinase states.
@nl
P2860
P356
P1476
Type-II kinase inhibitor docki ...... ctures of active kinase states
@en
P2093
Irina Kufareva
P2860
P304
P356
10.1021/JM8010299
P407
P577
2008-12-01T00:00:00Z