Potential virtual lead identification in the discovery of renin inhibitors: Application of ligand and structure-based pharmacophore modeling approaches

European Journal of Medicinal Chemistry

Volumn 46, Issue 6, 2011, Pages 2469-2476

  Thangapandian, Sundarapandian ^a   John, Shalini ^a   Sakkiah, Sugunadevi ^a   Lee, Keun Woo ^a  

^a Gyeongsang National University   (South Korea)

Author keywords

Blood pressure; Database screening; Ligand and structure based pharmacophore; Molecular docking; Renin

Indexed keywords

72X 400; A7T 342; ALISKIREN; C 39350; C 471327; C 60350; C 611341; C 801341; LIX 401; PZ 1805; REM 350; RENIN INHIBITOR; UA 4336; UNCLASSIFIED DRUG;

ARTICLE; BLOOD PRESSURE; DRUG BINDING; DRUG STRUCTURE; IC 50; MOLECULAR DOCKING; PHARMACOPHORE; PREDICTION; X RAY;

ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; DRUG DISCOVERY; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; RENIN; STEREOISOMERISM; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 79955572363     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2011.03.035     Document Type: Article

References (27)

1. K. Mori, Y. Ogawa, N. Tamuraa, K. Ebihara, T. Aokia, S. Muro, S. Ozaki, I. Tanaka, K. Tashiro, K. Nakao, FEBS Lett. 401 (1997) 218-222.
2. A.H. Gradman, R. Pinto, R. Kad, Curr. Opin. Pharmacol. 8 (2008) 120-126.
3. J.A. Staessen, Y. Li, T. Richart, Lancet 368 (2006) 1449-1456.
4. A.H. Gradman, R. Kad, J. Am. Coll. Cardiol. 51 (2008) 519-528.
5. G.E. Wakerlin, Circulation 17 (1953) 653-657.
6. S.D. Deodar, E. Haas, H. Goldblatt, J. Exp. Med. 119 (1964) 425-431.
7. J.B. Michel, C. Guettier, M. Philippe, F.X. Galen, P. Corvol, J. Ménard, Proc. Natl. Acad. Sci. USA 84 (1987) 4346-4350.
8. K.Y. Hui, W.D. Carlson, M.S. Bernatowicz, E. Haber, J. Med. Chem. 30 (1987) 1287-1295.
9. J. Boger, L.S. Payne, D.S. Perlow, N.S. Lohr, M. Poe, E.H. Blaine, E.H. Ulm, T.W. Schorn, B.I. LaMont, T.Y. Lin, J. Med. Chem. 28 (1985) 1779-1790.
10. G. Bolis, A.K.L. Fung, J. Greer, H.D. Kleinert, P.A. Marcotte, T.J. Perun, J.J. Plattner, H.H. Stein, J. Med. Chem. 30 (1987) 1729-1737.
11. D.J. Webb, P.J.O. Manhem, S.G. Ball, G. Inglis, B.J. Leckie, A.F. Lever, J.J. Morton, J.I.S. Robertson, G.D. Murray, J. Ménard, A. Hallett, D.M. Jones, M.A. Szelke, J. Hypertens. 3 (1985) 653-658.
12. J.M. Wood, N. Gulati, P. Forgiarini, W. Fuhrer, K.G. Hofbauer, Hypertension 7 (1985) 797-803.
13. J.M. Wood, F. Cumin, J. Maibaum, Pharmacol. Ther. 61 (1994) 325-344.
14. J. Maibaum, D.L. Feldman, Expert Opin. Ther. Patents 13 (2003) 589-603.
15. J.M. Wood, L. Criscione, M. de Gasparo, P. Bühlmayer, H. Rüeger, J.L. Stanton, R.A. Jupp, J. Kay, J. Cardiovasc. Pharmacol. 14 (1989) 221-226.
16. C.G. Rizzello, A. Cassone, R. Di Cagno, M. Gobbetti, J. Agric. Food Chem. 56 (2008) 6936-6943.
17. G. Lefevre, M. Duval, A. Poncin, J. Immunoassay 21 (2000) 65-84.
18. K. Allikmets, Curr. Opin. Invest. Drugs 3 (2002) 1479-1482.
19. D.D. Holsworth, C. Cai, X.M. Cheng, W.L. Cody, D.M. Downing, N. Erasga, C. Lee, N.A. Powell, J.J. Edmunds, M. Stier, M. Jalaie, E. Zhang, P. McConnell, M.J. Ryan, J. Bryant, T. Li, A. Kasani, E. Hall, R. Subedi, M. Rahim, S. Maiti, Bioorg. Med. Chem. Lett. 16 (2006) 2500-2504.
20. S. Thangapandian, S. John, S. Sakkiah, K.W. Lee, Eur. J. Med. Chem. 45 (2010) 4409-4417.
21. J. Rahuel, V. Rasetti, J. Maibaum, H. Rüeger, R. Göschke, N.C. Cohen, S. Stutz, F. Cumin, W. Fuhrer, J.M. Wood, M.G. Grütter, Chem. Biol. 7 (2000) 493-504.
22. N.C. Cohen, Chem. Biol. Drug Des 70 (2007) 557-565.
23. G. Jones, P. Willett, R.C. Glen, A.R. Leach, R. Taylor, J. Mol. Biol. 267 (1997) 727-748.
24. J.W. Nissink, C. Murray, M. Hartshorn, M.L. Verdonk, J.C. Cole, R. Taylor, Proteins 49 (2002) 457-471.
25. A.B. Wagner, J. Chem. Inf. Model. 46 (2006) 767-774.
26. Y. Wang, E. Bolton, S. Dracheva, K. Karapetyan, B.A. Shoemaker, T.O. Suzek, J. Wang, J. Xiao, J. Zhang, S.H. Bryant, Nucleic Acids Res. 38 (2010) D255-D266.
27. R.A. Laskowski, E.G. Hutchinson, A.D. Michie, A.C. Wallace, M.L. Jones, J.M. Thornton, Trends Biochem. Sci. 22 (1997) 488-490.