Structure-guided optimization of small molecule c-Abl activators.

PubWeight™: 0.76‹?›

🔗 View Article (PMC 3949015)

Published in J Comput Aided Mol Des on February 27, 2014

Authors

Xuan Hong1, Ping Cao, Yoshiaki Washio, Graham Simpson, Nino Campobasso, Jingsong Yang, Jennifer Borthwick, George Burton, Julien Chabanet, Sophie Bertrand, Helen Evans, Robert J Young, Junya Qu, Hu Li, Josh Cottom, Paris Ward, Hong Zhang, Thau Ho, Donghui Qin, Siegfried Christensen, Martha S Head

Author Affiliations

1: Platform Technology and Science, GlaxoSmithKline, Collegeville, PA, USA, xuan.2.hong@gsk.com.

Articles cited by this

Effects of a selective inhibitor of the Abl tyrosine kinase on the growth of Bcr-Abl positive cells. Nat Med (1996) 13.49

Discovery of N-(2-chloro-6-methyl- phenyl)-2-(6-(4-(2-hydroxyethyl)- piperazin-1-yl)-2-methylpyrimidin-4- ylamino)thiazole-5-carboxamide (BMS-354825), a dual Src/Abl kinase inhibitor with potent antitumor activity in preclinical assays. J Med Chem (2004) 7.33

Structural basis for the autoinhibition of c-Abl tyrosine kinase. Cell (2003) 5.44

Crystal structures of the kinase domain of c-Abl in complex with the small molecule inhibitors PD173955 and imatinib (STI-571). Cancer Res (2002) 4.19

Alternative splicing of RNAs transcribed from the human abl gene and from the bcr-abl fused gene. Cell (1986) 3.59

Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors. Nature (2010) 3.39

Induction of apoptosis and cell cycle arrest by CP-358,774, an inhibitor of epidermal growth factor receptor tyrosine kinase. Cancer Res (1997) 3.18

The EphB4 receptor suppresses breast cancer cell tumorigenicity through an Abl-Crk pathway. Nat Cell Biol (2006) 2.87

Studies leading to the identification of ZD1839 (IRESSA): an orally active, selective epidermal growth factor receptor tyrosine kinase inhibitor targeted to the treatment of cancer. Bioorg Med Chem Lett (2001) 2.86

Nuclear-cytoplasmic shuttling of C-ABL tyrosine kinase. Proc Natl Acad Sci U S A (1998) 2.73

Discovery of 5-[5-fluoro-2-oxo-1,2- dihydroindol-(3Z)-ylidenemethyl]-2,4- dimethyl-1H-pyrrole-3-carboxylic acid (2-diethylaminoethyl)amide, a novel tyrosine kinase inhibitor targeting vascular endothelial and platelet-derived growth factor receptor tyrosine kinase. J Med Chem (2003) 2.39

Organization of the SH3-SH2 unit in active and inactive forms of the c-Abl tyrosine kinase. Mol Cell (2006) 2.28

The structural basis for control of eukaryotic protein kinases. Annu Rev Biochem (2012) 2.21

Functionality maps of binding sites: a multiple copy simultaneous search method. Proteins (1991) 2.08

Cycling, stressed-out and nervous: cellular functions of c-Abl. Trends Cell Biol (1999) 1.87

Abl tyrosine kinase in signal transduction and cell-cycle regulation. Curr Opin Genet Dev (1993) 1.73

Selectively nonselective kinase inhibition: striking the right balance. J Med Chem (2010) 1.58

Cytoplasmic signalling by the c-Abl tyrosine kinase in normal and cancer cells. Biol Cell (2008) 1.52

Disrupting protein-protein interactions with non-peptidic, small molecule alpha-helix mimetics. Curr Opin Chem Biol (2010) 1.47

Conformational disturbance in Abl kinase upon mutation and deregulation. Proc Natl Acad Sci U S A (2009) 1.47

Design and discovery of small molecules targeting raf-1 kinase. Curr Pharm Des (2002) 1.34

Discovery and characterization of a cell-permeable, small-molecule c-Abl kinase activator that binds to the myristoyl binding site. Chem Biol (2011) 1.20

Activated Abl kinase inhibits oncogenic transforming growth factor-beta signaling and tumorigenesis in mammary tumors. FASEB J (2009) 1.20

Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay. J Am Chem Soc (2010) 1.11

Lineage-specific requirement of c-abl function in normal hematopoiesis. Science (1989) 1.09

Direct small-molecule kinase activation: Novel approaches for a new era of drug discovery. Curr Opin Drug Discov Devel (2009) 0.87

Oligodeoxynucleotides antisense to c-abl specifically inhibit entry into S-phase of CD34+ hematopoietic cells and their differentiation to granulocyte-macrophage progenitors. Blood (1995) 0.84

The multi-copy simultaneous search methodology: a fundamental tool for structure-based drug design. J Comput Aided Mol Des (2009) 0.82

Assay development and high-throughput screening of small molecular c-Abl kinase activators. J Biomol Screen (2010) 0.78

Articles by these authors

(truncated to the top 100)

A novel heterocyclic compound: catena-poly[[[diaquasodium(I)]-di-mu-aqua] hemi(1,5-dihydroxy-4,8,9-trioxa-2,6-diazabicyclo[3.3.1]nona-2,6-diene-3,7-diolate)]. Acta Crystallogr C (2007) 65.39

Guidelines for the use and interpretation of assays for monitoring autophagy. Autophagy (2012) 20.08

Highly efficient reprogramming to pluripotency and directed differentiation of human cells with synthetic modified mRNA. Cell Stem Cell (2010) 14.18

Expanded screening for HIV in the United States--an analysis of cost-effectiveness. N Engl J Med (2005) 8.49

The Oxford classification of IgA nephropathy: rationale, clinicopathological correlations, and classification. Kidney Int (2009) 7.45

The Oxford classification of IgA nephropathy: pathology definitions, correlations, and reproducibility. Kidney Int (2009) 7.19

A critical assessment of docking programs and scoring functions. J Med Chem (2006) 5.78

Frequent mutations of chromatin remodeling genes in transitional cell carcinoma of the bladder. Nat Genet (2011) 5.73

Identification of an organelle receptor for myosin-Va. Nat Cell Biol (2002) 4.06

Cyclophilin D deficiency attenuates mitochondrial and neuronal perturbation and ameliorates learning and memory in Alzheimer's disease. Nat Med (2008) 3.69

A proprotein convertase subtilisin/kexin type 9 neutralizing antibody reduces serum cholesterol in mice and nonhuman primates. Proc Natl Acad Sci U S A (2009) 3.39

Angiotensin receptor agonistic autoantibodies induce pre-eclampsia in pregnant mice. Nat Med (2008) 3.36

GSK1120212 (JTP-74057) is an inhibitor of MEK activity and activation with favorable pharmacokinetic properties for sustained in vivo pathway inhibition. Clin Cancer Res (2011) 3.36

Donor cell type can influence the epigenome and differentiation potential of human induced pluripotent stem cells. Nat Biotechnol (2011) 3.25

Genome-wide association study identifies susceptibility loci for IgA nephropathy. Nat Genet (2011) 3.15

Ubiquitin hydrolase Uch-L1 rescues beta-amyloid-induced decreases in synaptic function and contextual memory. Cell (2006) 3.01

Therapeutic suppression of translation initiation factor eIF4E expression reduces tumor growth without toxicity. J Clin Invest (2007) 3.01

Reprogramming of T cells from human peripheral blood. Cell Stem Cell (2010) 2.93

FARP2 triggers signals for Sema3A-mediated axonal repulsion. Nat Neurosci (2005) 2.87

Gliomas: predicting time to progression or survival with cerebral blood volume measurements at dynamic susceptibility-weighted contrast-enhanced perfusion MR imaging. Radiology (2008) 2.83

Melamine related bilateral renal calculi in 50 children: single center experience in clinical diagnosis and treatment. J Urol (2010) 2.83

Phospho switch triggers Brd4 chromatin binding and activator recruitment for gene-specific targeting. Mol Cell (2013) 2.83

Improved rapid amplification of cDNA ends (RACE) for mapping both the 5' and 3' terminal sequences of paramyxovirus genomes. J Virol Methods (2005) 2.66

Genome-wide copy-number-variation study identified a susceptibility gene, UGT2B17, for osteoporosis. Am J Hum Genet (2008) 2.65

Isolation of spermatozoa with low levels of fragmented DNA with the use of flow cytometry and sorting. Fertil Steril (2013) 2.60

C. elegans screen identifies autophagy genes specific to multicellular organisms. Cell (2010) 2.50

Enhancement to the RANKPEP resource for the prediction of peptide binding to MHC molecules using profiles. Immunogenetics (2004) 2.49

Guidance of myocardial patterning in cardiac development by Sema6D reverse signalling. Nat Cell Biol (2004) 2.39

SEPA-1 mediates the specific recognition and degradation of P granule components by autophagy in C. elegans. Cell (2009) 2.35

Visceral adipose tissue-derived serine protease inhibitor: a unique insulin-sensitizing adipocytokine in obesity. Proc Natl Acad Sci U S A (2005) 2.31

Combination therapy of prednisone and ACE inhibitor versus ACE-inhibitor therapy alone in patients with IgA nephropathy: a randomized controlled trial. Am J Kidney Dis (2008) 2.31

Increased dendritic spine densities on cortical projection neurons in autism spectrum disorders. Brain Res (2009) 2.24

Community exposure to perfluorooctanoate: relationships between serum concentrations and exposure sources. J Occup Environ Med (2006) 2.24

Dual roles of Sema6D in cardiac morphogenesis through region-specific association of its receptor, Plexin-A1, with off-track and vascular endothelial growth factor receptor type 2. Genes Dev (2004) 2.22

Histone demethylase UTX-1 regulates C. elegans life span by targeting the insulin/IGF-1 signaling pathway. Cell Metab (2011) 2.22

Exploring techniques for vision based human activity recognition: methods, systems, and evaluation. Sensors (Basel) (2013) 2.22

Differential control over postganglionic neurons in rat cardiac ganglia by NA and DmnX neurons: anatomical evidence. Am J Physiol Regul Integr Comp Physiol (2003) 2.20

Crystal structure of the heterodimeric CLOCK:BMAL1 transcriptional activator complex. Science (2012) 2.20

Outcomes of deep anterior lamellar keratoplasty using the big-bubble technique in various corneal diseases. Am J Ophthalmol (2012) 2.20

TNF-induced recruitment and activation of the IKK complex require Cdc37 and Hsp90. Mol Cell (2002) 2.18

SUMO-2/3 modification and binding regulate the association of CENP-E with kinetochores and progression through mitosis. Mol Cell (2008) 2.15

The Oxford IgA nephropathy clinicopathological classification is valid for children as well as adults. Kidney Int (2010) 2.14

Discovery of a novel and potent class of FabI-directed antibacterial agents. Antimicrob Agents Chemother (2002) 2.14

PC3 is a cell line characteristic of prostatic small cell carcinoma. Prostate (2011) 2.13

Retromer deficiency observed in Alzheimer's disease causes hippocampal dysfunction, neurodegeneration, and Abeta accumulation. Proc Natl Acad Sci U S A (2008) 2.09

Comprehensive analysis of donor-site morbidity in abdominally based free flap breast reconstruction. Plast Reconstr Surg (2013) 2.07

Common genetic variants of the human uromodulin gene regulate transcription and predict plasma uric acid levels. Kidney Int (2013) 2.05

Time trends and familial risks in squamous cell carcinoma of the skin. Arch Dermatol (2003) 2.04

Oligometastases treated with stereotactic body radiotherapy: long-term follow-up of prospective study. Int J Radiat Oncol Biol Phys (2011) 2.03

Psychosocial determinants of outcomes in knee replacement. Ann Rheum Dis (2011) 1.99

The transcriptional landscape of hematopoietic stem cell ontogeny. Cell Stem Cell (2012) 1.96

Oxidative stress, mitochondrial dysfunction, and aging. J Signal Transduct (2011) 1.94

Tension pneumothorax case report is misleading. Thorax (2011) 1.94

A randomized, double-blind comparison of the NK1 antagonist, aprepitant, versus ondansetron for the prevention of postoperative nausea and vomiting. Anesth Analg (2007) 1.94

Cytoplasmic polyhedrosis virus structure at 8 A by electron cryomicroscopy: structural basis of capsid stability and mRNA processing regulation. Structure (2003) 1.93

Therapeutic potential of human umbilical cord mesenchymal stem cells in the treatment of rheumatoid arthritis. Arthritis Res Ther (2010) 1.90

The crystal structure of IgE Fc reveals an asymmetrically bent conformation. Nat Immunol (2002) 1.89

TB in goats caused by Mycobacterium bovis. Vet Rec (2008) 1.86

Sequential autophosphorylation steps in the interleukin-1 receptor-associated kinase-1 regulate its availability as an adapter in interleukin-1 signaling. J Biol Chem (2003) 1.85

Sequence and structure classification of kinases. J Mol Biol (2002) 1.84

MEK/ERK signaling contributes to the maintenance of human embryonic stem cell self-renewal. Differentiation (2007) 1.83

Induction of BAIAP3 by the EWS-WT1 chimeric fusion implicates regulated exocytosis in tumorigenesis. Cancer Cell (2002) 1.80

The first confirmed human case of avian influenza A (H5N1) in Mainland China. Lancet (2006) 1.79

Inhibition of calpains improves memory and synaptic transmission in a mouse model of Alzheimer disease. J Clin Invest (2008) 1.79

Service utilization in community health centers in China: a comparison analysis with local hospitals. BMC Health Serv Res (2006) 1.78

A genome-wide association study in Han Chinese identifies multiple susceptibility loci for IgA nephropathy. Nat Genet (2011) 1.77

Sophorolipids block lethal effects of septic shock in rats in a cecal ligation and puncture model of experimental sepsis. Crit Care Med (2006) 1.77

T0070907, a selective ligand for peroxisome proliferator-activated receptor gamma, functions as an antagonist of biochemical and cellular activities. J Biol Chem (2002) 1.75

Generation of functional erythrocytes from human embryonic stem cell-derived definitive hematopoiesis. Proc Natl Acad Sci U S A (2008) 1.75

An experimental test of the dose-dependent effect of carotenoids and immune activation on sexual signals and antioxidant activity. Am Nat (2004) 1.74

Effect of household and village characteristics on financial catastrophe and impoverishment due to health care spending in Western and Central Rural China: A multilevel analysis. Health Res Policy Syst (2011) 1.74

Noggin and bFGF cooperate to maintain the pluripotency of human embryonic stem cells in the absence of feeder layers. Biochem Biophys Res Commun (2005) 1.74

Effect of statin therapy on cardiovascular and renal outcomes in patients with chronic kidney disease: a systematic review and meta-analysis. Eur Heart J (2013) 1.74

The WD40 repeat PtdIns(3)P-binding protein EPG-6 regulates progression of omegasomes to autophagosomes. Dev Cell (2011) 1.73

Testosterone and oxidative stress: the oxidation handicap hypothesis. Proc Biol Sci (2007) 1.72

Expression and gene polymorphisms of interleukin 28B and hepatitis B virus infection in a Chinese Han population. Liver Int (2011) 1.70

Geographic differences in genetic susceptibility to IgA nephropathy: GWAS replication study and geospatial risk analysis. PLoS Genet (2012) 1.69

Crystal structure of human riboflavin kinase reveals a beta barrel fold and a novel active site arch. Structure (2003) 1.69

Determination of the role of the human RNase H1 in the pharmacology of DNA-like antisense drugs. J Biol Chem (2004) 1.68

Collapse of single-wall carbon nanotubes is diameter dependent. Phys Rev Lett (2004) 1.68

Induction of multipotential hematopoietic progenitors from human pluripotent stem cells via respecification of lineage-restricted precursors. Cell Stem Cell (2013) 1.68

Genetic association of PRDM1-ATG5 intergenic region and autophagy with systemic lupus erythematosus in a Chinese population. Ann Rheum Dis (2011) 1.67

Excess adenosine in murine penile erectile tissues contributes to priapism via A2B adenosine receptor signaling. J Clin Invest (2008) 1.66

Inhibition of the CXCR4/CXCL12 chemokine pathway reduces the development of murine pulmonary metastases. Clin Exp Metastasis (2007) 1.63

Community exposure to perfluorooctanoate: relationships between serum levels and certain health parameters. J Occup Environ Med (2006) 1.63

Antimicrobial susceptibility of Mycoplasma pneumoniae isolates and molecular analysis of macrolide-resistant strains from Shanghai, China. Antimicrob Agents Chemother (2009) 1.63

Methodologies for Salmonella enterica subsp. enterica subtyping: gold standards and alternatives. Appl Environ Microbiol (2011) 1.61

Neutrophil protein kinase Cdelta as a mediator of stroke-reperfusion injury. J Clin Invest (2004) 1.58

Differentiation of E14 mouse embryonic stem cells into thyrocytes in vitro. Thyroid (2010) 1.58

Routine human immunodeficiency virus testing: an economic evaluation of current guidelines. Am J Med (2005) 1.56

Lysine 63-linked polyubiquitination of TAK1 at lysine 158 is required for tumor necrosis factor alpha- and interleukin-1beta-induced IKK/NF-kappaB and JNK/AP-1 activation. J Biol Chem (2009) 1.56

Indole naphthyridinones as inhibitors of bacterial enoyl-ACP reductases FabI and FabK. J Med Chem (2003) 1.56

Adenosine downregulates DPPIV on HT-29 colon cancer cells by stimulating protein tyrosine phosphatase(s) and reducing ERK1/2 activity via a novel pathway. Am J Physiol Cell Physiol (2006) 1.55

An experimental manipulation of life-history trajectories and resistance to oxidative stress. Evolution (2006) 1.55

Structure of C3PO and mechanism of human RISC activation. Nat Struct Mol Biol (2011) 1.55

Novel dual-targeting benzimidazole urea inhibitors of DNA gyrase and topoisomerase IV possessing potent antibacterial activity: intelligent design and evolution through the judicious use of structure-guided design and structure-activity relationships. J Med Chem (2008) 1.54

Synaptojanin 1-linked phosphoinositide dyshomeostasis and cognitive deficits in mouse models of Down's syndrome. Proc Natl Acad Sci U S A (2008) 1.54

Familial and attributable risks in cutaneous melanoma: effects of proband and age. J Invest Dermatol (2003) 1.53

Endothelial paxillin and focal adhesion kinase (FAK) play a critical role in neutrophil transmigration. Eur J Immunol (2012) 1.53

Cementless bilateral synchronous total hip arthroplasty in ankylosing spondylitis with hip ankylosis. Int Orthop (2014) 1.53