Identification and antitumor activity of a novel inhibitor of the NIMA-related kinase NEK6

[1]  R. Couñago,et al.  In depth analysis of kinase cross screening data to identify chemical starting points for inhibition of the Nek family of kinases. , 2018, MedChemComm.

[2]  R. Bayliss,et al.  Mitotic Regulation by NEK Kinase Networks , 2017, Front. Cell Dev. Biol..

[3]  M. Schapira,et al.  A systematic analysis of atomic protein–ligand interactions in the PDB , 2017, MedChemComm.

[4]  K. Webber,et al.  Chemotherapy for epithelial ovarian, fallopian tube and primary peritoneal cancer. , 2017, Best practice & research. Clinical obstetrics & gynaecology.

[5]  Emanuel J. V. Gonçalves,et al.  A Landscape of Pharmacogenomic Interactions in Cancer , 2016, Cell.

[6]  R. Roskoski Classification of small molecule protein kinase inhibitors based upon the structures of their drug-enzyme complexes. , 2016, Pharmacological research.

[7]  T. Mak,et al.  Targeting Mitosis in Cancer: Emerging Strategies. , 2015, Molecular cell.

[8]  G. Scambia,et al.  Nek6 and Hif-1α cooperate with the cytoskeletal gateway of drug resistance to drive outcome in serous ovarian cancer. , 2015, American journal of cancer research.

[9]  M. Gottesman,et al.  Reduced accumulation of platinum drugs is not observed in drug-resistant ovarian cancer cell lines derived from cisplatin-treated patients. , 2015, Journal of inorganic biochemistry.

[10]  J. Kobarg,et al.  Kinase Inhibitor Profile for Human Nek1, Nek6, and Nek7 and Analysis of the Structural Basis for Inhibitor Specificity , 2015, Molecules.

[11]  James D. Brenton,et al.  Ovarian Cancer Cell Line Panel (OCCP): Clinical Importance of In Vitro Morphological Subtypes , 2014, PloS one.

[12]  J. Kobarg,et al.  "Stop Ne(c)king around": How interactomics contributes to functionally characterize Nek family kinases. , 2014, World journal of biological chemistry.

[13]  Xavier Robert,et al.  Deciphering key features in protein structures with the new ENDscript server , 2014, Nucleic Acids Res..

[14]  M. Kubbutat,et al.  Cytotoxic and protein kinase inhibiting nakijiquinones and nakijiquinols from the sponge Dactylospongia metachromia. , 2014, Journal of natural products.

[15]  M. Diederich,et al.  Protein kinase and HDAC inhibitors from the endophytic fungus Epicoccum nigrum. , 2014, Journal of natural products.

[16]  P. Perumal,et al.  Discovery of Novel Inhibitors for Nek6 Protein through Homology Model Assisted Structure Based Virtual Screening and Molecular Docking Approaches , 2014, TheScientificWorldJournal.

[17]  R. Bayliss,et al.  Cell cycle regulation by the NEK family of protein kinases , 2012, Journal of Cell Science.

[18]  Michael M. Mysinger,et al.  Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking , 2012, Journal of medicinal chemistry.

[19]  Jacob de Vlieg,et al.  Comparative Analysis of Pharmacophore Screening Tools , 2012, J. Chem. Inf. Model..

[20]  Joost C. M. Uitdehaag,et al.  A guide to picking the most selective kinase inhibitor tool compounds for pharmacological validation of drug targets , 2012, British journal of pharmacology.

[21]  V. Stambolic,et al.  Nek family of kinases in cell cycle, checkpoint control and cancer , 2011, Cell Division.

[22]  F. Totzke,et al.  Arthrinins A-D: novel diterpenoids and further constituents from the sponge derived fungus Arthrinium sp. , 2011, Bioorganic & medicinal chemistry.

[23]  G. Wani,et al.  Differential contributory roles of nucleotide excision and homologous recombination repair for enhancing cisplatin sensitivity in human ovarian cancer cells , 2011, Molecular Cancer.

[24]  D. Hanahan,et al.  Hallmarks of Cancer: The Next Generation , 2011, Cell.

[25]  R. Kiss,et al.  Quercetin inhibits a large panel of kinases implicated in cancer cell biology. , 2011, International journal of oncology.

[26]  Júlio C. Silva,et al.  Human Nek6 is a monomeric mostly globular kinase with an unfolded short N-terminal domain , 2011, BMC Structural Biology.

[27]  R. Ganapathi,et al.  CCL2 expression in primary ovarian carcinoma is correlated with chemotherapy response and survival outcomes. , 2010, Anticancer research.

[28]  F. Fiorentini,et al.  4,5-Dihydro-1H-pyrazolo[4,3-h]quinazolines as potent and selective Polo-like kinase 1 (PLK1) inhibitors. , 2010, Bioorganic & medicinal chemistry letters.

[29]  J. Kobarg,et al.  Characterization of hNek6 interactome reveals an important role for its short N-terminal domain and colocalization with proteins at the centrosome. , 2010, Journal of proteome research.

[30]  David S. Goodsell,et al.  AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility , 2009, J. Comput. Chem..

[31]  R. Bayliss,et al.  An Autoinhibitory Tyrosine Motif in the Cell-Cycle-Regulated Nek7 Kinase Is Released through Binding of Nek9 , 2009, Molecular cell.

[32]  F. Couch,et al.  Edinburgh Research Explorer Functional restoration of BRCA2 protein by secondary BRCA2 mutations in BRCA2-mutated ovarian carcinoma , 2022 .

[33]  A. Isacchi,et al.  Identification of N,1,4,4-tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide (PHA-848125), a potent, orally available cyclin dependent kinase inhibitor. , 2009, Journal of medicinal chemistry.

[34]  Ian Collins,et al.  Measuring and interpreting the selectivity of protein kinase inhibitors , 2009, Journal of chemical biology.

[35]  A. Fry,et al.  The Nek6 and Nek7 Protein Kinases Are Required for Robust Mitotic Spindle Formation and Cytokinesis , 2009, Molecular and Cellular Biology.

[36]  Mark W. Richards,et al.  Insights into the Conformational Variability and Regulation of Human Nek2 Kinase , 2009, Journal of molecular biology.

[37]  Thomas A. Halgren,et al.  Identifying and Characterizing Binding Sites and Assessing Druggability , 2009, J. Chem. Inf. Model..

[38]  A. Groen,et al.  The NIMA-family kinase Nek6 phosphorylates the kinesin Eg5 at a novel site necessary for mitotic spindle formation , 2008, Journal of Cell Science.

[39]  Joo-In Park,et al.  Nek6 is involved in G2/M phase cell cycle arrest through DNA damage-induced phosphorylation , 2008, Cell cycle.

[40]  S. Deacon,et al.  The challenge of selecting protein kinase assays for lead discovery optimization , 2008, Expert opinion on drug discovery.

[41]  T. Schwede,et al.  Protein structure homology modeling using SWISS-MODEL workspace , 2008, Nature Protocols.

[42]  Manfred J. Sippl,et al.  Thirty years of environmental health research--and growing. , 1996, Nucleic Acids Res..

[43]  Ting-Chao Chou,et al.  Theoretical Basis, Experimental Design, and Computerized Simulation of Synergism and Antagonism in Drug Combination Studies , 2006, Pharmacological Reviews.

[44]  John Kuriyan,et al.  An Allosteric Mechanism for Activation of the Kinase Domain of Epidermal Growth Factor Receptor , 2006, Cell.

[45]  Kevan M Shokat,et al.  Features of selective kinase inhibitors. , 2005, Chemistry & biology.

[46]  Michel F Sanner,et al.  A component-based software environment for visualizing large macromolecular assemblies. , 2005, Structure.

[47]  Thierry Langer,et al.  LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters , 2005, J. Chem. Inf. Model..

[48]  Brian K. Shoichet,et al.  ZINC - A Free Database of Commercially Available Compounds for Virtual Screening , 2005, J. Chem. Inf. Model..

[49]  D. Voehringer,et al.  The Serine/Threonine Kinase Nek6 Is Required for Cell Cycle Progression through Mitosis* , 2003, Journal of Biological Chemistry.

[50]  J. Avruch,et al.  A Mitotic Cascade of NIMA Family Kinases , 2003, Journal of Biological Chemistry.

[51]  Renxiao Wang,et al.  Comparative evaluation of 11 scoring functions for molecular docking. , 2003, Journal of medicinal chemistry.

[52]  G. Bemis,et al.  Kinase inhibitors and the case for CH…O hydrogen bonds in protein–ligand binding , 2002, Proteins.

[53]  E. Feige,et al.  Isolation and characterization of two evolutionarily conserved murine kinases (Nek6 and nek7) related to the fungal mitotic regulator, NIMA. , 2000, Genomics.

[54]  J. Kuriyan,et al.  Structures of Src-family tyrosine kinases. , 1997, Current opinion in structural biology.

[55]  Thomas L. Madden,et al.  Gapped BLAST and PSI-BLAST: a new generation of protein database search programs. , 1997, Nucleic acids research.

[56]  F. Lombardo,et al.  Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings , 1997 .

[57]  D. Eisenberg,et al.  VERIFY3D: assessment of protein models with three-dimensional profiles. , 1997, Methods in enzymology.

[58]  Z. Derewenda,et al.  The occurrence of C-H...O hydrogen bonds in proteins. , 1995, Journal of molecular biology.

[59]  T. Blundell,et al.  Comparative protein modelling by satisfaction of spatial restraints. , 1993, Journal of molecular biology.

[60]  D S Moss,et al.  Main-chain bond lengths and bond angles in protein structures. , 1993, Journal of molecular biology.

[61]  D. Eisenberg,et al.  Assessment of protein models with three-dimensional profiles , 1992, Nature.

[62]  T. Chou,et al.  Quantitative analysis of dose-effect relationships: the combined effects of multiple drugs or enzyme inhibitors. , 1984, Advances in enzyme regulation.