Identification of novel target sites and an inhibitor of the dengue virus E protein

Journal of Computer-Aided Molecular Design

Volumn 23, Issue 6, 2009, Pages 333-341

  Yennamalli, Ragothaman ^a,b   Subbarao, Naidu ^a   Kampmann, Thorsten ^b   McGeary, Ross P ^b   Young, Paul R ^b   Kobe, Bostjan ^b  

^a JAWAHARLAL NEHRU UNIVERSITY   (India)

^b UNIVERSITY OF QUEENSLAND   (Australia)

Author keywords

Dengue virus; Envelope protein; Flavi virus; Virtual drug screening

Indexed keywords

CONFORMATIONS; CYTOLOGY; HEALTH RISKS; LIFE CYCLE; MOLECULES; PROTEINS;

DENGUE VIRUS; DRUG-SCREENING; ENVELOPE PROTEINS; FLAVI VIRUS; FLAVIVIRUS; FUSION PROCESS; GLOBAL HEALTH; HOST CELLS; TARGET SITES; VIRTUAL DRUG SCREENING;

VIRUSES;

ANTIVIRUS AGENT; VIRUS ENVELOPE PROTEIN;

AMINO ACID SEQUENCE; ANIMAL CELL; ANTIVIRAL ACTIVITY; ARTICLE; BINDING SITE; COMPUTER ANALYSIS; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; DENGUE VIRUS; DRUG CYTOTOXICITY; DRUG STRUCTURE; IC 50; MOLECULAR DOCKING; NONHUMAN; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN STRUCTURE; SEQUENCE ALIGNMENT; VERO CELL; VIRUS CELL INTERACTION; VIRUS INHIBITION;

EID: 67349274176     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-009-9263-6     Document Type: Article

References (49)

1. Jacobs MG, Young PR (1998) Curr Opin Infect Dis 11:319
2. Anderson R, King AD, Innis BL (1992) J Gen Virol 73:2155. doi: 10.1099/ 0022-1317-73-8-2155
3. Guirakhoo F, Heinz FX, Mandl CW et al (1991) J Gen Virol 72:1323. doi: 10.1099/0022-1317-72-6-1323
4. Allison SL, Schalich J, Stiasny K et al (1995) J Virol 69:695
5. Modis Y, Ogata S, Clements D et al (2004) Nature 427:313. doi: 10.1038/ nature02165
6. Kampmann T, Mueller DS, Mark AE et al (2006) Structure 14:1481. doi: 10.1016/j.str.2006.07.011
7. Heinz FX, Allison SL (2001) Curr Opin Microbiol 4:450. doi: 10.1016/ S1369-5274(00)00234-4
8. Modis Y, Ogata S, Clements D et al (2003) Proc Natl Acad Sci USA 100:6986. doi: 10.1073/pnas.0832193100
9. Rey FA, Heinz FX, Mandl C et al (1995) Nature 375:291. doi: 10.1038/ 375291a0
10. Bressanelli S, Stiasny K, Allison SL et al (2004) EMBO J 23:728. doi: 10.1038/sj.emboj.7600064
11. Morrey JD, Smee DF, Sidwell RW et al (2002) Antiviral Res 55:107. doi: 10.1016/S0166-3542(02)00013-X
12. Puig-Basagoiti F, Tilgner M, Forshey BM et al (2006) Antimicrob Agents Chemother 50:1320. doi: 10.1128/AAC.50.4.1320-1329.2006
13. Zhang N, Chen HM, Koch V et al (2003) J Med Chem 46:4776. doi: 10.1021/ jm030277k
14. Knox JE, Ma NL, Yin Z et al (2006) J Med Chem 49:6585. doi: 10.1021/ jm0607606
15. Leung D, Schroder K, White H et al (2001) J Biol Chem 276:45762. doi: 10.1074/jbc.M107360200
16. Whitby K, Pierson TC, Geiss B et al (2005) J Virol 79:8698. doi: 10.1128/ JVI.79.14.8698-8706.2005
17. Courageot MP, Frenkiel MP, Dos Santos CD et al (2000) J Virol 74:564
18. Wu SF, Lee CJ, Liao CL et al (2002) J Virol 76:3596. doi: 10.1128/ JVI.76.8.3596-3604.2002
19. Chu JJ, Yang PL (2007) Proc Natl Acad Sci USA 104:3520. doi: 10.1073/ pnas.0611681104
20. Mathews JH, Roehrig JT (1984) J Immunol 132:1533
21. Kimura-Kuroda J, Yasui K (1988) J Immunol 141:3606
22. Brandriss MW, Schlesinger JJ, Walsh EE et al (1986) J Gen Virol 67(Pt 2):229. doi: 10.1099/0022-1317-67-2-229
23. Shimoni Z, Niven MJ, Pitlick S et al (2001) Emerg Infect Dis 7:759
24. Liao M, Kielian M (2005) J Cell Biol 171:111. doi: 10.1083/jcb.200507075
25. McCown M, Diamond MS, Pekosz A (2003) Virology 313:514. doi: 10.1016/ S0042-6822(03)00341-6
26. Bai F, Wang T, Pal U et al (2005) J Infect Dis 191:1148. doi: 10.1086/ 428507
27. Adelman ZN, Sanchez-Vargas I, Travanty EA et al (2002) J Virol 76:12925. doi: 10.1128/JVI.76.24.12925-12933.2002
28. Bai F, Town T, Pradhan D et al (2007) J Virol 81:2047. doi: 10.1128/ JVI.01840-06
29. Hrobowski YM, Garry RF, Michael SF (2005) Virol J 2:49. doi: 10.1186/ 1743-422X-2-49
30. Marks RM, Lu H, Sundaresan R et al (2001) J Med Chem 44:2178. doi: 10.1021/jm000412i
31. McInnes C (2007) Curr Opin Chem Biol 11:494. doi: 10.1016/ j.cbpa.2007.08.033
32. Kirchmair J, Distinto S, Schuster D et al (2008) Curr Med Chem 15:2040. doi: 10.2174/092986708785132843
33. Coupez B, Lewis RA (2006) Curr Med Chem 13:2995. doi: 10.2174/ 092986706778521797
34. Yang JM, Chen YF, Tu YY et al (2007) PLoS ONE 2:e428. doi: 10.1371/ journal.pone.0000428
35. Brady GP Jr, Stouten PF (2000) J Comput Aided Mol Des 14:383. doi: 10.1023/A:1008124202956
36. Landau M, Mayrose I, Rosenberg Y et al (2005) Nucleic Acids Res 33:W299. doi: 10.1093/nar/gki370
37. Zhang W, Chipman PR, Corver J et al (2003) Nat Struct Biol 10:907. doi: 10.1038/nsb990
38. Bodian DL, Yamasaki RB, Buswell RL et al (1993) Biochemistry 32:2967. doi: 10.1021/bi00063a007
39. Lipinski CA, Lombardo F, Dominy BW et al (1997) Adv Drug Deliv Rev 23:3. doi: 10.1016/S0169-409X(96)00423-1
40. Verdonk ML, Cole JC, Hartshorn MJ et al (2003) Proteins 52:609. doi: 10.1002/prot.10465
41. Rarey M, Kramer B, Lengauer T et al (1996) J Mol Biol 261:470. doi: 10.1006/jmbi.1996.0477
42. Kuntz ID, Blaney JM, Oatley SJ et al (1982) J Mol Biol 161:269. doi: 10.1016/0022-2836(82)90153-X
43. Wang R, Lai L, Wang S (2002) J Comput Aided Mol Des 16:11. doi: 10.1023/ A:1016357811882
44. Kontoyianni M, McClellan LM, Sokol GS (2004) J Med Chem 47:558. doi: 10.1021/jm0302997
45. Wallace AC, Laskowski RA, Thornton JM (1995) Protein Eng 8:127. doi: 10.1093/protein/8.2.127
46. Nybakken GE, Nelson CA, Chen BR et al (2006) J Virol 80:11467. doi: 10.1128/JVI.01125-06
47. Kolaskar AS, Kulkarni-Kale U (1999) Virology 261:31. doi: 10.1006/ viro.1999.9859
48. Modis Y, Ogata S, Clements D et al (2005) J Virol 79:1223. doi: 10.1128/ JVI.79.2.1223-1231.2005
49. Subbarao N, Haneef I (1991) Protein Eng 4:877. doi: 10.1093/protein/ 4.8.877