Co-crystal structures of inhibitors with MRCKβ, a key regulator of tumor cell invasion

PLoS ONE

Volumn 6, Issue 9, 2011, Pages

  Heikkila, Timo ^a   Wheatley, Edward ^a   Crighton, Diane ^b   Schroder, Ewald ^a   Boakes, Alexandra ^a   Kaye, Sarah J ^a   Mezna, Mokdad ^b   Pang, Leon ^a   Rushbrooke, Mathew ^a   Turnbull, Andrew ^a   Olson, Michael F ^b  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b BEATSON INSTITUTE FOR CANCER RESEARCH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

2 [1 (3 DIMETHYLAMINOPROPYL) 5 METHOXY 1H INDOL 3 YL] 3 (1H INDOL 3 YL)MALEIMIDE; 3 [8 [(DIMETHYLAMINO)METHYL] 6,7,8,9 TETRAHYDROPYRIDO[1,2 A]INDOL 10 YL] 4 (1 METHYL 1H INDOL 3 YL) 1H PYRROLE 2,5 DIONE; 4 (1 AMINOETHYL) N (4 PYRIDYL)CYCLOHEXANECARBOXAMIDE; ALSTERPAULLONE; BISINDOLYLMALEIMIDE; CGP 74514A; CYCLIN DEPENDENT KINASE 2 INHIBITOR; FASUDIL; K 252A; MYOTONIC DYSTROPHY KINASE RELATED CDC42 BINDING KINASE ALPHA; MYOTONIC DYSTROPHY KINASE RELATED CDC42 BINDING KINASE BETA; PROTEIN KINASE R INHIBITOR; PROTEIN SERINE THREONINE KINASE INHIBITOR; RHO GUANINE NUCLEOTIDE BINDING PROTEIN; RHO KINASE INHIBITOR; STAUROSPORINE; TPCA 1; UNCLASSIFIED DRUG; 1 (5 ISOQUINOLINESULFONYL) 2 METHYLPIPERAZINE; 2 ((AMINOCARBONYL)AMINO) 5 (4 FLUOROPHENYL) 3 THIOPHENECARBOXAMIDE; 2-((AMINOCARBONYL)AMINO)-5-(4-FLUOROPHENYL)-3-THIOPHENECARBOXAMIDE; AMIDE; CDC42BPB PROTEIN, HUMAN; COLLAGEN; DRUG DERIVATIVE; LAMININ; MATRIGEL; PROTEIN KINASE INHIBITOR; PROTEIN TYROSINE KINASE; PROTEOGLYCAN; PYRIDINE DERIVATIVE; RHO KINASE; THIOPHENE DERIVATIVE;

ALPHA HELIX; ARTICLE; CATALYSIS; CELL INVASION; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG ACTIVITY; DRUG PROTEIN BINDING; DRUG STRUCTURE; ENZYME ACTIVE SITE; ENZYME ACTIVITY; ENZYME ASSAY; ENZYME CONFORMATION; ENZYME INHIBITION; ENZYME STRUCTURE; HUMAN; HUMAN CELL; IC 50; IN VITRO STUDY; PROTEIN DOMAIN; PROTEIN FOLDING; REGULATORY MECHANISM; TUMOR CELL; CANCER INVASION; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; DRUG COMBINATION; DRUG EFFECT; EXTRACELLULAR MATRIX; METABOLISM; PATHOLOGY; PROTEIN MULTIMERIZATION; TUMOR CELL LINE; X RAY CRYSTALLOGRAPHY;

1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE; AMIDES; CATALYTIC DOMAIN; CELL LINE, TUMOR; COLLAGEN; CRYSTALLOGRAPHY, X-RAY; DRUG COMBINATIONS; EXTRACELLULAR MATRIX; HUMANS; INHIBITORY CONCENTRATION 50; LAMININ; MODELS, MOLECULAR; NEOPLASM INVASIVENESS; PROTEIN KINASE INHIBITORS; PROTEIN MULTIMERIZATION; PROTEIN-TYROSINE KINASES; PROTEOGLYCANS; PYRIDINES; RHO-ASSOCIATED KINASES; THIOPHENES;

EID: 80052934878     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0024825     Document Type: Article

References (53)

1. Olson MF, Sahai E, (2009) The actin cytoskeleton in cancer cell motility. Clin Exp Metastasis 26: 273-287.
2. Jaffe AB, Hall A, (2005) Rho GTPases: biochemistry and biology. Annu Rev Cell Dev Biol 21: 247-269.
3. Wickman GR, Samuel MS, Lochhead PA, Olson MF, (2010) The Rho-Regulated ROCK Kinases in Cancer. In: van Golen K, editors. The Rho GTPases in Cancer New York Springer pp. 163-192.
4. Olson MF, (2008) Applications for ROCK kinase inhibition. Current Opinion in Cell Biology 20: 242-248.
5. Nakajima M, Hayashi K, Egi Y, Katayama K, Amano Y, et al. (2003) Effect of Wf-536, a novel ROCK inhibitor, against metastasis of B16 melanoma. Cancer Chemother Pharmacol 52: 319-324.
6. Nakajima M, Hayashi K, Katayama K, Amano Y, Egi Y, et al. (2003) Wf-536 prevents tumor metastasis by inhibiting both tumor motility and angiogenic actions. Eur J Pharmacol 459: 113-120.
7. Nakajima M, Katayama K, Tamechika I, Hayashi K, Amano Y, et al. (2003) WF-536 inhibits metastatic invasion by enhancing the host cell barrier and inhibiting tumour cell motiltiy. Clin Exp Pharmacol Physiol 30: 457-463.
8. Genda T, Sakamoto M, Ichida T, Asakura H, Kojiro M, et al. (1999) Cell motility mediated by rho and Rho-associated protein kinase plays a critical role in intrahepatic metastasis of human hepatocellular carcinoma. Hepatology 30: 1027-1036.
9. Takamura M, Sakamoto M, Genda T, Ichida T, Asakura H, et al. (2001) Inhibition of intrahepatic metastasis of human hepatocellular carcinoma by Rho-associated protein kinase inhibitor Y-27632. Hepatology 33: 577-581.
10. Ying H, Biroc SL, Li WW, Alicke B, Xuan JA, et al. (2006) The Rho kinase inhibitor fasudil inhibits tumor progression in human and rat tumor models. Mol Cancer Ther 5: 2158-2164.
11. Somlyo AV, Bradshaw D, Ramos S, Murphy C, Myers CE, et al. (2000) Rho-kinase inhibitor retards migration and in vivo dissemination of human prostate cancer cells. Biochem Biophys Res Commun 269: 652-659.
12. Croft DR, Olson MF, (2008) Regulating the conversion between rounded and elongated modes of cancer cell movement. Cancer Cell 14: 349-351.
13. Wolf K, Friedl P, (2006) Molecular mechanisms of cancer cell invasion and plasticity. Br J Dermatol 154 (Suppl 1): 11-15.
14. Sanz-Moreno V, Marshall CJ, (2010) The plasticity of cytoskeletal dynamics underlying neoplastic cell migration. Curr Opin Cell Biol 22: 690-696.
15. Somlyo AV, Phelps C, Dipierro C, Eto M, Read P, et al. (2003) Rho kinase and matrix metalloproteinase inhibitors cooperate to inhibit angiogenesis and growth of human prostate cancer xenotransplants. Faseb J 17: 223-234.
16. Sahai E, Marshall CJ, (2003) Differing modes of tumour cell invasion have distinct requirements for Rho/ROCK signalling and extracellular proteolysis. Nat Cell Biol 5: 711-719.
17. Wilkinson S, Paterson HF, Marshall CJ, (2005) Cdc42-MRCK and Rho-ROCK signalling cooperate in myosin phosphorylation and cell invasion. Nat Cell Biol 7: 255-261.
18. Sanz-Moreno V, Gadea G, Ahn J, Paterson H, Marra P, et al. (2008) Rac activation and inactivation control plasticity of tumor cell movement. Cell 135: 510-523.
19. Zhao ZS, Manser E, (2005) PAK and other Rho-associated kinases-effectors with surprisingly diverse mechanisms of regulation. Biochem J 386: 201-214.
20. Tanaka J, Ito M, Feng J, Ichikawa K, Hamaguchi T, et al. (1998) Interaction of myosin phosphatase target subunit 1 with the catalytic subunit of type 1 protein phosphatase. Biochemistry 37: 16697-16703.
21. Tan I, Ng CH, Lim L, Leung T, (2001) Phosphorylation of a novel myosin binding subunit of protein phosphatase 1 reveals a conserved mechanism in the regulation of actin cytoskeleton. J Biol Chem 276: 21209-21216.
22. Totsukawa G, Yamakita Y, Yamashiro S, Hartshorne DJ, Sasaki Y, et al. (2000) Distinct roles of ROCK (Rho-kinase) and MLCK in spatial regulation of MLC phosphorylation for assembly of stress fibers and focal adhesions in 3T3 fibroblasts. J Cell Biol 150: 797-806.
23. Gaggioli C, Hooper S, Hidalgo-Carcedo C, Grosse R, Marshall JF, et al. (2007) Fibroblast-led collective invasion of carcinoma cells with differing roles for RhoGTPases in leading and following cells. Nat Cell Biol 9: 1392-1400.
24. Hidalgo-Carcedo C, Hooper S, Chaudhry SI, Williamson P, Harrington K, et al. (2011) Collective cell migration requires suppression of actomyosin at cell-cell contacts mediated by DDR1 and the cell polarity regulators Par3 and Par6. Nat Cell Biol 13: 49-58.
25. Scott RW, Hooper S, Crighton D, Li A, Konig I, et al. (2010) LIM kinases are required for invasive path generation by tumor and tumor-associated stromal cells. J Cell Biol 191: 169-185.
26. Podolin PL, Callahan JF, Bolognese BJ, Li YH, Carlson K, et al. (2005) Attenuation of murine collagen-induced arthritis by a novel, potent, selective small molecule inhibitor of IkappaB Kinase 2, TPCA-1 (2-[(aminocarbonyl)amino]-5-(4-fluorophenyl)-3-thiophenecarboxamide), occurs via reduction of proinflammatory cytokines and antigen-induced T cell Proliferation. J Pharmacol Exp Ther 312: 373-381.
27. Amano M, Chihara K, Nakamura N, Kaneko T, Matsuura Y, et al. (1999) The COOH terminus of Rho-kinase negatively regulates rho-kinase activity. J Biol Chem 274: 32418-32424.
28. Davies SP, Reddy H, Caivano M, Cohen P, (2000) Specificity and mechanism of action of some commonly used protein kinase inhibitors. Biochem J 351: 95-105.
29. Elkins JM, Amos A, Niesen FH, Pike AC, Fedorov O, et al. (2009) Structure of dystrophia myotonica protein kinase. Protein Sci 18: 782-791.
30. Jacobs M, Hayakawa K, Swenson L, Bellon S, Fleming M, et al. (2006) The Structure of Dimeric ROCK I Reveals the Mechanism for Ligand Selectivity. J Biol Chem 281: 260-268.
31. Yamaguchi H, Kasa M, Amano M, Kaibuchi K, Hakoshima T, (2006) Molecular mechanism for the regulation of rho-kinase by dimerization and its inhibition by fasudil. Structure 14: 589-600.
32. Breitenlechner C, Gassel M, Hidaka H, Kinzel V, Huber R, et al. (2003) Protein kinase A in complex with Rho-kinase inhibitors Y-27632, Fasudil, and H-1152P: structural basis of selectivity. Structure 11: 1595-1607.
33. Tan I, Seow KT, Lim L, Leung T, (2001) Intermolecular and Intramolecular Interactions Regulate Catalytic Activity of Myotonic Dystrophy Kinase-Related Cdc42-Binding Kinase {alpha}. Mol Cell Biol 21: 2767-2778.
34. Krissinel E, Henrick K, (2007) Inference of macromolecular assemblies from crystalline state. J Mol Biol 372: 774-797.
35. Groeger G, Nobes CD, (2007) Co-operative Cdc42 and Rho signalling mediates ephrinB-triggered endothelial cell retraction. Biochem J 404: 23-29.
36. Gally C, Wissler F, Zahreddine H, Quintin S, Landmann F, et al. (2009) Myosin II regulation during C. elegans embryonic elongation: LET-502/ROCK, MRCK-1 and PAK-1, three kinases with different roles. Development 136: 3109-3119.
37. Lefort K, Mandinova A, Ostano P, Kolev V, Calpini V, et al. (2007) Notch1 is a p53 target gene involved in human keratinocyte tumor suppression through negative regulation of ROCK1/2 and MRCK{alpha} kinases. Genes Dev 21: 562-577.
38. Fisher KE, Sacharidou A, Stratman AN, Mayo AM, Fisher SB, et al. (2009) MT1-MMP- and Cdc42-dependent signaling co-regulate cell invasion and tunnel formation in 3D collagen matrices. J Cell Sci 122: 4558-4569.
39. van 't Veer LJ, Dai H, van de Vijver MJ, He YD, Hart AAM, et al. (2002) Gene expression profiling predicts clinical outcome of breast cancer. Nature 415: 530-536.
40. Lochhead PA, Wickman G, Mezna M, Olson MF, (2010) Activating ROCK1 somatic mutations in human cancer. Oncogene 29: 2591-2598.
41. Fritz G, Brachetti C, Bahlmann F, Schmidt M, Kaina B, (2002) Rho GTPases in human breast tumours: expression and mutation analyses and correlation with clinical parameters. Br J Cancer 87: 635-644.
42. Fritz G, Just I, Kaina B, (1999) Rho GTPases are over-expressed in human tumors. Int J Cancer 81: 682-687.
43. Doe C, Bentley R, Behm DJ, Lafferty R, Stavenger R, et al. (2007) Novel Rho kinase inhibitors with anti-inflammatory and vasodilatory activities. J Pharmacol Exp Ther 320: 89-98.
44. Shifrin V, Annand RR, Flusberg D, McGonigle S, Wong E, et al. (2005) Effects of SLx-2119, a novel small molecule inhibitor of Rho-associated kinase ROCK (ROK), on growth of human tumor xenografts in nude mice. AACR Meeting Abstracts 2005: 158.
45. Schueller O, Tong W, Ferkany JW, Sweetnam P, (2006) Abstract 1216: Selective ROCK 2 Inhibition Attenuates Arterial Plaque Formation in an ApoE Knockout Mouse Model. Circulation 114: II_228-b-.
46. Boerma M, Fu Q, Wang J, Loose DS, Bartolozzi A, et al. (2008) Comparative gene expression profiling in three primary human cell lines after treatment with a novel inhibitor of Rho kinase or atorvastatin. Blood Coagul Fibrinolysis 19: 709-718.
47. Croft DR, Olson MF, (2006) The Rho GTPase Effector ROCK Regulates Cyclin A, Cyclin D1, and p27Kip1 Levels by Distinct Mechanisms. Mol Cell Biol 26: 4612-4627.
48. Pham YC, Man N, Lam LT, Morris GE, (1998) Localization of myotonic dystrophy protein kinase in human and rabbit tissues using a new panel of monoclonal antibodies. Hum Mol Genet 7: 1957-1965.
49. Lam LT, Pham YC, Nguyen TM, Morris GE, (2000) Characterization of a monoclonal antibody panel shows that the myotonic dystrophy protein kinase, DMPK, is expressed almost exclusively in muscle and heart. Hum Mol Genet 9: 2167-2173.
50. Leslie A, (1992) Recent changes to the MOSFLM package for processing film and image plate data. Joint CCP4+ESF-EAMCB Newsletter on Protein Crystallography 26.
51. McCoy AJ, Grosse-Kunstleve RW, Adams PD, Winn MD, Storoni LC, et al. (2007) Phaser crystallographic software. J Appl Crystallogr 40: 658-674.
52. Winn MD, Isupov MN, Murshudov GN, (2001) Use of TLS parameters to model anisotropic displacements in macromolecular refinement. Acta Crystallogr D Biol Crystallogr 57: 122-133.
53. Emsley P, Cowtan K, (2004) Coot: model-building tools for molecular graphics. Acta Crystallogr D Biol Crystallogr 60: 2126-2132.