Design of dual inhibitors of ROCK-I and NOX2 as potential leads for the treatment of neuroinflammation associated with various neurological diseases including autism spectrum disorder

Molecular BioSystems

Volumn 11, Issue 2, 2015, Pages 607-617

  Alokam, Reshma ^a   Singhal, Sarthak ^a   Srivathsav, Geetha Sai ^a   Garigipati, Sowmya ^a   Puppala, Sripriya ^a   Sriram, Dharmarajan ^a   Perumal, Yogeeswari ^a  

^a BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ENZYME INHIBITOR; PROTEIN KINASE INHIBITOR; REDUCED NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE OXIDASE; RHO KINASE;

ANTAGONISTS AND INHIBITORS; AUTISM SPECTRUM DISORDER; CELL MOTION; CHEMISTRY; DRUG DESIGN; DRUG EFFECTS; GENE EXPRESSION REGULATION; HEK293 CELL LINE; HUMAN; INFLAMMATION; METABOLISM; MOLECULAR DOCKING; NERVOUS SYSTEM DISEASES; PATHOLOGY; TUMOR CELL LINE; X RAY CRYSTALLOGRAPHY;

AUTISM SPECTRUM DISORDER; CELL LINE, TUMOR; CELL MOVEMENT; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ENZYME INHIBITORS; GENE EXPRESSION REGULATION; HEK293 CELLS; HUMANS; INFLAMMATION; MOLECULAR DOCKING SIMULATION; NADPH OXIDASE; NERVOUS SYSTEM DISEASES; PROTEIN KINASE INHIBITORS; RHO-ASSOCIATED KINASES;

EID: 84921697926     PISSN: 1742206X     EISSN: 17422051     Source Type: Journal    
DOI: 10.1039/c4mb00570h     Document Type: Article

References (43)

1. H. González, et al., Neuroimmune regulation of microglial activity involved in neuroinflammation and neurodegenerative diseases, J. Neuroimmunol., 2014, DOI: 10.1016/j.jneuroim.2014.07.012.
2. J. Götz, et al., Animal models of Alzheimer's disease and frontotemporal dementia, Nat. Rev. Neurosci., 2008, 9(7), 532-544.
3. A. El-Ansary, et al., Neuroinflammation in autism spectrum disorders, J. Neuroinflammation, 2012, 9, 265.
4. D. A. Rossignol, et al., Evidence linking oxidative stress, mitochondrial dysfunction, and inflammation in the brain of individuals with autism, Front. Physiol., 2014, 5, DOI: 10.3389/fphys.2014.00150.
5. C. E. Teunissen, et al., Inflammation markers in relation to cognition in a healthy aging population, J. Neuroimmunol., 2003, 134(1), 142-150.
6. S. Sorce, et al., NOX enzymes in the central nervous system: from signaling to disease, Antioxid. Redox Signaling, 2009, 11(10), 2481-2504.
7. M. S. Hernandes, et al., The role of Nox2-derived ROS in the development of cognitive impairment after sepsis, J. Neuroinflammation, 2014, 11(1), 36.
8. S. E. Newey, et al., Rho GTPases, dendritic structure, and mental retardation, J. Neurobiol., 2005, 64(1), 58-74.
9. N. N. Kasri and L. Van Aelst, Rho-linked genes and neurological disorders, Pflügers Arch., 2008, 455(5), 787-797.
10. C. M. Chong, et al., Discovery of a benzofuran derivative (MBPTA) as a novel ROCK inhibitor that protects against MPP+-induced oxidative stress and cell death in SH-SY5Y cells, Free Radicals Biol. Med., 2014, 74, 283-293.
11. K. Miyano, et al., Direct involvement of the small GTPase Rac in activation of the superoxide-producing NADPH oxidase Nox1, J. Biol. Chem. , 2006, 281(31), 21857-21868.
12. A. Stanley, et al. , Rho GTPases and Nox dependent ROS production in skin. Is there a connection?, Histol. Histopathol., 2012, 27(11), 1395-1406.
13. Glide, version 5.7, Schrödinger, LLC, New York, NY, 2011.
14. P. J. Therese, et al., Multiple e-Pharmacophore Modeling, 3D-QSAR, and High-Throughput Virtual Screening of Hepatitis C Virus NS5B Polymerase Inhibitors, J. Chem. Inf. Model., 2014, 54(2), 539-552.
15. P. C. D. Hawkins, A. Geoffrey Skillman and A. Nicholls, Comparison of shape-matching and docking as virtual screening tools, J. Med. Chem., 2007, 50(1), 74-82.
16. J. D. Doran, et al., ROCK Enzymatic Assay, Wnt Signaling, Humana Press, 2008, pp. 197-205.
17. F. H. Niesen, et al., The use of differential scanning fluorimetry to detect ligand interactions that promote protein stability, Nat. Protoc., 2007, 2 (9), 2212-2221.
18. T. M. Buttke, et al., Use of an aqueous soluble tetrazolium/ formazan assay to measure viability and proliferation of lymphokine-dependent cell lines, J. Immunol. Methods, 1993, 157(1), 233-240.
19. S. Das, et al. , Mangiferin attenuates methylmercury induced cytotoxicity against IMR-32, human neuroblastoma cells by the inhibition of oxidative stress and free radical scavenging potential, Chem.-Biol. Interact., 2011, 193(2), 129-140.
20. E. Eruslanov, et al., Identification of ROS using oxidized DCFDA and flow-cytometry, Advanced Protocols in Oxidative Stress II, Humana Press, 2010, pp. 57-72.
21. T. T. Puck, et al. , A rapid method for viable cell titration and clone production with HeLa cells in tissue culture: the use of X-irradiated cells to supply conditioning factors, Proc. Natl. Acad. Sci. U. S. A., 1955, 41(7), 432.
22. C. C. Liang, et al., In vitro scratch assay: a convenient and inexpensive method for analysis of cell migration in vitro, Nat. Protoc. , 2007, 2(2), 329-333.
23. R. C. Bunn, et al. , Palmitate and insulin synergistically induce IL-6 expression in human monocytes, Cardiovasc. Diabetol., 2010, 9(1), 73.
24. B. K. Yoza, et al., Interleukin-1beta expression after inhibition of protein phosphatases in endotoxin-tolerant cells, Clin. Diagn. Lab. Immunol., 1998, 5, 281.
25. C. J. Moran, et al., Expression and modulation of Rho kinase in human pregnant myometrium, Mol. Hum. Reprod., 2002, 8(2), 196-200.
26. P. C. Lin, et al., Collapsin response mediator proteins (CRMPs) are a new class of microtubule-associated protein (MAP) that selectively interacts with assembled microtubules via a taxol-sensitive binding interaction, J. Biol. Chem., 2011, 286(48), 41466-41478.
27. T. Ago, et al. Nox4 as the major catalytic component of an endothelial NAD (P) H oxidase, Circulation, 2004, 109(2), 227-233.
28. M. Shen, et al., Discovery of Rho-kinase inhibitors by dockingbased virtual screening, Mol. BioSyst., 2013, 9(6), 1511-1521.
29. M. Shen, et al., Discovery and optimization of triazine derivatives as ROCK1 inhibitors: molecular docking, molecular dynamics simulations and free energy calculations, Mol. BioSyst., 2013, 9(3), 361-374.
30. P. Pan, et al., Advances in the development of Rhoassociated protein kinase (ROCK) inhibitors, Drug Discovery Today, 2013, 18, 1323-1333.
31. M. B. Battu, et al., Pharmacophore-Based 3D QSAR and Molecular Docking Studies to Identify New Non-Peptidic Inhibitors of Cathepsin S, Curr. Med. Chem., 2014, 21, 1910-1921.
32. C. A. Street, et al., Pharmacological inhibition of Rho-kinase (ROCK) signaling enhances cisplatin resistance in neuroblastoma cells, Int. J. Oncol., 2010, 37(5), 1297.
33. M. Fujimura, et al., Inhibition of the Rho/ROCK pathway prevents neuronal degeneration in vitro and in vivo following methylmercury exposure, Toxicol. Appl. Pharmacol., 2011, 250(1), 1-9.
34. M. Fujimura, et al., Methylmercury exposure downregulates the expression of Racl and leads to neuritic degeneration and ultimately apoptosis in cerebrocortical neurons, Neurotoxicology, 2009, 30(1), 16-22.
35. N. A. P. Franken, et al., Clonogenic assay of cells in vitro, Nat. Protoc., 2006, 1(5), 2315-2319.
36. M. W. Pantoliano, et al., High-density miniaturized thermal shift assays as a general strategy for drug discovery, J. Biomol. Screening, 2001, 6(6), 429-440.
37. J. B. Wyckoff, et al., ROCK-and myosin-dependent matrix deformation enables protease-independent tumor-cell invasion in vivo, Curr. Biol., 2006, 16(15), 1515-1523.
38. S. Ogata, et al. , Fasudil inhibits lysophosphatidic acidinduced invasiveness of human ovarian cancer cells, Int. J. Gynecol. Cancer, 2009, 19(9), 1473-1480.
39. S. Y. Kim, et al., Role of NADPH oxidase-2 in lipo-polysaccharide-induced matrix metalloproteinase expression and cell migration, Immunol. Cell Biol., 2009, 88(2), 197-204.
40. B. L. Prosser, et al., X-ROS signaling: rapid mechano-chemo transduction in heart, Science, 2011, 333(6048), 1440-1445.
41. F. Simon, et al. , Early lipopolysaccharide-induced reactive oxygen species production evokes necrotic cell death in human umbilical vein endothelial cells, J. Hypertens., 2009, 27(6), 1202-1216.
42. H. J. Kim, et al., Roles of NADPH oxidases in cisplatininduced reactive oxygen species generation and ototoxicity, J. Neurosci., 2010, 30(11), 3933-3946.
43. K. Matoba, et al., Rho-kinase mediates TNF-α-induced MCP-1 expression via p38 MAPK signaling pathway in mesangial cells, Biochem. Biophys. Res. Commun., 2010, 402(4), 725-730.