통합자연과학논문집 (Journal of Integrative Natural Science)

조선대학교 기초과학연구원 (The Basic Science Institute Chosun University)
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Molecular Docking Study of Urotension-2 Receptor (UTS2R)

  • Sathya., B (Department of Bioinformatics, School of Bioengineering, SRM University)
  • 투고 : 2017.05.08
  • 심사 : 2017.06.25
  • 발행 : 2017.06.30
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초록

Urotensin-2 receptor (UTS2R) is the most potent vasoconstrictor and plays a major role in the pathophysiology of various cardiovascular diseases and becomes a potential target for human pharmacotherapy. Hence, we have performed molecular docking of six antagonists with different inhibitory activity against UTS2R into its binding site. The binding mode of these antagonists was obtained using Surflex dock program interfaced in Sybyl-X2.0. The residues such as GLN278, THR304, TYR305, THR300, LEU299, CYS302, ASP47, TYR100 and THR304 are found in interaction between UTS2R and its antagonists. This study could be useful for identifying and analyzing the important residues involved in binding site of UTS2R receptor.

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참고문헌

  1. Q. Liu, S.-S. Pong, Z. Zeng, Q. Zhang, A. D. Howard, D. L. Williams, M. Davidoff, R. Wang, C. P. Austin, T. P. McDonald, C. Bai, S. R. George, J. F. Evans, and C. T. Caskey, "Identification of urotension II as the endogenous ligand for the orphan G-protein-coupled receptor GPR14", Biochem. Biophys. Res. Commun., Vol. 266, pp. 174-178, 1999. https://doi.org/10.1006/bbrc.1999.1796
  2. M. Mori, T. Sugo, M. Abe, Y. Shimomura, M. Kurihara, C. Kitada, K. Kikuchi, Y. Shintani, T. Kurokawa, H. Onda, O. Nishimura, and M. Fujino, "Urotensin II is the endogenous ligand of a G-proteincoupled orphan receptor, SENR (GPR14)", Biochem. Biophys. Res. Commun., Vol. 265, pp. 123-129, 1999. https://doi.org/10.1006/bbrc.1999.1640
  3. A. Carotenuto, P. Grieco, E. Novellino, and P. Rovero, "Urotensin- II receptor peptide agonists", Med Res Rev, vol. 24, pp. 577-588, 2004. https://doi.org/10.1002/med.20001
  4. G. Thanassoulis, T. Huyhn, and A. Giaid, "Urotensin II and cardiovascular diseases", Peptides, Vol. 25, pp. 1789-1794, 2004. https://doi.org/10.1016/j.peptides.2004.05.027
  5. R. S. Ames, H. M. Sarau, J. K. Chambers, R. N. Willette, N. V. Aiyar, A. M. Romanic, C. S. Louden, J. J. Foley, C. F. Sauermelch, R. W Coatney, Z. Ao, J. Disa, S. D. Holmes, J. M. Stadel, J. D. Martin, W. S. Liu, G. I. Glover, S. Wilson, D. E. McNulty, C. E. Ellis, N. A. Elshourbagy, U. Shabon, J. J. Trill, D. W. Hay, E. H. Ohlstein, D. J. Bergsma, and S. A. Douglas, "Human urotensin-II is a potent vasoconstrictor and agonist for the orphan receptor GPR14", Nature, Vol. 401, pp. 282-286, 1999. https://doi.org/10.1038/45809
  6. A. M. D. Watson and C. N. May, "Urotensin II, a novel peptide in central and peripheral cardiovascular control", Peptides, Vol. 25, pp. 1759-1766, 2004. https://doi.org/10.1016/j.peptides.2004.04.016
  7. J. J. Maguire, R. E. Kuc, and A. P. Davenport, "Orphan-receptor ligand human urotensin II: receptor localization in human tissues and comparison of vasoconstrictor responses with endothelin-1", Br. J. Pharmacol., Vol. 131, pp. 441-446, 2000. https://doi.org/10.1038/sj.bjp.0703601
  8. M. Matsushita, M. Shichiri, T. Imai, M. Iwashina, H. Tanaka, N. Takasu, and Y Hirata, "Co-expression of urotensin II and its receptor (GPR14) in human cardiovascular and renal tissues", J. Hypertens., Vol. 19, pp. 2185-2190, 2001. https://doi.org/10.1097/00004872-200112000-00011
  9. W. Kemp, S. Roberts, and H. Krum, "Increased circulating urotensin II in cirrhosis: potential implications in liver disease", Peptides, Vol. 29, pp. 868-872, 2008. https://doi.org/10.1016/j.peptides.2007.08.020
  10. F. D. Russell and P. Molenaar, "Cardiovascular actions of human urotensin II: considerations for hypertension", Naunyn Schmiedebergs Arch. Pharmacol., Vol. 369, pp. 271-273, 2004. https://doi.org/10.1007/s00210-004-0876-y
  11. S. A. Douglas, L. Tayara, E. H. Ohlstein, N. Halawa, and A. Giaid, "Congestive heart failure and expression of myocardial urotension II", Lancet, Vol. 359, pp. 1990-1997, 2002. https://doi.org/10.1016/S0140-6736(02)08831-1
  12. K. Totsune, K. Takahashi, Z. Arihara, M. Sone, F. Satoh, S. Ito, Y. Kimura, H. Sasano, and O. Murakami, "Role of urotensin II in patients on dialysis", Lancet, Vol. 358, pp. 810-811, 2001. https://doi.org/10.1016/S0140-6736(01)06002-0
  13. K. Takahashi, K. Totsune, O. Murakami, Z. Arihara, T. Noshiro, Y. Hayashi, and S. Shibahara, "Expression of urotensin II and its receptor in adrenal tumors and stimulation of proliferation of cultured tumor cells by urotensin II", Peptides, Vol. 24, pp. 301-306, 2003. https://doi.org/10.1016/S0196-9781(03)00039-1
  14. A. M. Richards, M. G. Nicholls, J. G. Lainchbury, S. Fisher, and T. G. Yandle, "Plasma urotensin II in heart failure", Lancet, Vol. 360, pp. 545-546, 2002. https://doi.org/10.1016/S0140-6736(02)09709-X
  15. F. D. Russell, D. Meyers, A. J. Galbraith, N. Bett, I. Toth, P. Kearns, and P. Molenaar, "Elevated plasma levels of human urotensin-II immunoreactivity in congestive heart failure", Am. J. Physiol. Heart Circ. Physiol., Vol. 285, pp. H1576-H1581, 2003. https://doi.org/10.1152/ajpheart.00217.2003
  16. B. Sathya, "Homology modelling of urotensin-2 receptor (UTS2R): potential target for human pharmacotherapy", J. Chosun Natural Sci., Vol. 9, pp. 185-189, 2016. https://doi.org/10.13160/ricns.2016.9.3.185
  17. SYBYL Software, Version X 2.0,Tripos Associates Inc, St. Louis, USA.
  18. J. Jin, M. An, A. Sapienza, N. Aiyar, D. Naselsky, H. M. Sarau, J. J. Foley, K. L. Salyers, S. D. Knight, R. M. Keenan, R. A. Rivero, D. Dhanak, and S. A. Douglas, Urotensin-II receptor antagonists: synthesis and SAR of N-cyclic azaalkyl benzamides, Bioorg. Med. Chem. Lett., Vol. 18, pp. 3950-3954, 2008. https://doi.org/10.1016/j.bmcl.2008.06.019
  19. E. C. Lawson, D. K. Luci, S. Ghosh, W. A. Kinney, C. H. Reynolds, J. Qi, C. E. Smith, Y. Wang, L. K. Minor, B. J. Haertlein, T. J. Parry, B. P. Damiano, and B. E. Maryanoff, Nonpeptide urotensin-II receptor antagonists: a new ligand class based on piperazino-phthalimide and piperazino-isoindolinone subunits, J. Med. Chem., Vol. 52, pp. 7432-7445, 2009. https://doi.org/10.1021/jm900683d
  20. M. Clozel, C. Binkert, M. Birker-Robaczewska, C. Boukhadra, S. S. Ding, W. Fischli, P. Hess, B. Mathys, K. Morrison, C. Müller, C. Muller, O. Nayler, C. Qiu, M. Rey, M. W. Scherz, J. Velker, T. Weller, J. F. Xi, and P. Ziltener, Pharmacology of the urotensin-II receptor antagonist palosuran (ACT-058362; 1-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-ethyl]-3-(2-methyl-quinolin-4-yl)-urea sulfate salt): first demonstration of a pathophysiological role of the urotensin System, J. Pharmacol. Exp. Ther., Vol. 311, pp. 204-212, 2004. https://doi.org/10.1124/jpet.104.068320
  21. S. A. Douglas, D. J. Behm, N. V. Aiyar, D. Naselsky, J. Disa, D. P. Brooks, E. H. Ohlstein, J. G. Gleason, H. M. Sarau, J. J. Foley, P. T. Buckley, D. B. Schmidt, W. E. Wixted, K. Widdowson, G. Riley, J. Jin, T. F. Gallagher, S. J. Schmidt, L. Ridgers, L. T. Christmann, R. M. Keenan, S. D. Knight and D. Dhanak, Nonpeptidic urotensin-II receptor antagonists I: in vitro pharmacological characterization of SB-706375, Br. J. Pharmacol., Vol. 145, pp. 620-635, 2005. https://doi.org/10.1038/sj.bjp.0706229
  22. S. Flohr, M. Kurz, E. Kostenis, A. Brkovich, A. Fournier and T. Klabunde, Identification of nonpeptidic urotensin II receptor antagonists by virtual screening based on a pharmacophore model derived from structure-activity relationships and nuclear magnetic resonance studies on urotensin II, J. Med. Chem., Vol. 45, pp. 1799-1805, 2002. https://doi.org/10.1021/jm0111043
  23. E. Rakowski, G. S. Hassan, D. Dhanak, E. H. Ohlstein, S. A. Douglas, and A. Giaid, A role for urotensin II in restenosis following balloon angioplasty: use of a selective UT receptor blocker, J. Mol. Cell. Cardiol., Vol. 39, pp. 785-791, 2005. https://doi.org/10.1016/j.yjmcc.2005.07.002
  24. A. N. Jain, "Scoring functions for protein-ligand docking", Curr. Protein Pept. Sci., Vol. 7, pp. 407-420, 2006. https://doi.org/10.2174/138920306778559395
  25. A. N. Jain, "Scoring non-covalent protein-ligand interactions: a continuous differentiable function tuned to compute binding", J. Comput. Aided Mol. Des., Vol. 10, pp. 427-440, 1996. https://doi.org/10.1007/BF00124474
  26. N. Santhosh Kumar and M. Thirumurthy, "3D-QSAR studies of 8-substituted-2-aryl-5-alkylaminoquinolines as Corticotropin-releasing factor-1 receptor antagonists", J. Chosun Natural Sci., Vol. 8, pp. 176-183, 2015. https://doi.org/10.13160/ricns.2015.8.3.176
  27. N. Santhosh Kumar and M. Thirumurthy, "Comparative Molecular Similarity Indices Analysis (CoMSIA) of 8-substituted-2-aryl-5-alkylaminoquinolines as Corticotropin-releasing factor-1 Receptor Antagonists", J. Chosun Natural Sci., Vol. 9, pp. 241-248, 2016. https://doi.org/10.13160/ricns.2016.9.4.241