Studies on the interactions of Ti-containing polyoxometalates (POMs) with SARS-CoV 3CLpro by molecular modeling

Journal of Inorganic Biochemistry

Volumn 101, Issue 1, 2007, Pages 89-94

  Hu, Donghua ^a,b   Shao, Chen ^a   Guan, Wei ^a   Su, Zhongmin ^a   Sun, Jiazhong ^c  

^a NORTHEAST NORMAL UNIVERSITY   (China)

^b Traditional Chinese Medicine Institute of Traditional Chinese Medicine Collage of Changchun   (China)

^c JILIN UNIVERSITY   (China)

Author keywords

3CLpro; Docking; Molecular dynamics; Polyoxometalates (POMs); SARS

Indexed keywords

ENZYME INHIBITOR; METAL COMPLEX; ORGANIC COMPOUND; OXYGEN; POLYOXOMETALATE DERIVATIVE; PROTEINASE; SARS CORONAVIRUS 3C LIKE PROTEASE; TITANIUM DERIVATIVE; VIRUS ENZYME;

ARTICLE; BINDING AFFINITY; DENSITY FUNCTIONAL THEORY; DRUG PROTEIN BINDING; ISOMER; MOLECULAR MODEL; NONHUMAN; SARS CORONAVIRUS; SEVERE ACUTE RESPIRATORY SYNDROME; VIRUS REPLICATION; VIRUS TRANSCRIPTION;

CYSTEINE ENDOPEPTIDASES; MODELS, MOLECULAR; TITANIUM; VIRAL PROTEINS;

HUMAN IMMUNODEFICIENCY VIRUS; SARS CORONAVIRUS;

EID: 33845346434     PISSN: 01620134     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jinorgbio.2006.08.013     Document Type: Article

References (37)

1. Rota P.A., Oberste M.S., and Monroe S.S. Science 300 (2003) 1394-1399
2. Anand K., Ziebuhr J., and Wadhwani P. Science 300 (2003) 1763-1767
3. Liu H.L., Lin J.C., and Yih H. Chem. Phys. Lett 401 (2005) 24-29
4. Peiris J.S.M., Lai S.T., and Poon L.L.M. Lancet 361 (2004) 1319-1325
5. Lan Y.C., Liu H.F., and Shih Y.P. Infect. Gene. Evol. 5 (2005) 261-269
6. Anand K., Palm G.J., and Mesters J.R. EMBO. J. 21 (2002) 3213-3224
7. Poon L.L.M., Leung C.S.W., and Tashiro M. Clin. Chem. 50 (2004) 1050-1052
8. Xiang M.L., Xiao S.X., and Yuan Z.R. Res. Appl. 2 (2000) 621-625
9. Erik D.C. Rev. Med. Virol. 10 (2000) 255-257
10. Erik D.C. Med. Res. Rev. 22 (2002) 531-565
11. Judd D.A., Nettles J.H., and Nevins N. J. Am. Chem. Soc. 123 (2001) 886-897
12. Liu S.X., Wang L., and Wang E.B. J. Chin. Rare. Earth. Soc. 15 (1997) 59-63
13. Chen C.N., Lin C.P.C., and Huang K.K. Altern. Med. 2 (2005) 209-215
14. Xiang M.L., Zhao Z.G., and Yuan Z.R. J. Biomed. Eng. 2 (2002) 291-297
15. He Y., Lu H., and Siddiqui P. J. Immunol. 174 (2005) 4908-4915
16. Liu S.X., Li Y.G., and Han Z.B. Chem. J. Chin. Univ. 23 (2002) 778-782
17. Zhai H.J., Liu S.X., and Li Y.X. Chin. J. Inorg. Chem. 21 (2005) 1798-1802
18. Liu S.X., Wang C.L., and Yu M. Acta. Chin. Sinica. 63 (2005) 1069-1074
19. Take Y., Tokutake Y., and Inouye Y. Antiv. Res. 15 (1991) 113-124
20. Inouye Y., Fujimoto Y., and Sugiyama M. Bio. Pharm. Bull. 18 (1995) 996-1000
21. Inouye Y., Tokutake Y., and Kunihara J. Chem. Pharm. Bull. 40 (1992) 805-807
22. Rhule J.T., Hill C.L., and Judd D.A. Chem. Rev. 98 (1998) 327-357
23. Witvrouw M., Weigold H., and Pannecouque C. J. Med. Chem. 43 (2000) 778-783
24. Shigeta S., Mori S., and Kodama E. Antiv. Res. 58 (2003) 265-271
25. Liu J., Wang E.B., and Ji L.N. Prog. Chem. 18 (2006) 114-119
26. Guan W., and Yan L.K. Z. M. Su. Inorg. Chem. 44 (2005) 100-109 (the nomenclature is incorrect)
27. Shao C., Hu D.H., and Su Z.M. Chem. J. Chin. Univ. 26 (2005) 1512-1516
28. Yang H.T., Yang M.J., and Ding Y. Proc. Natl. Acad. Sci. USA 100 (2003) 13190-13195
29. Guo C.Z., Xuan Z.Y., and Chen R.S. Chin. J. Biochem. Mol. Biol. 18 (2002) 499-505
30. Barlow S., Rohl A.L., and Shi S. J. Am. Chem. Soc. 188 (1996) 7578-7592
31. Luthy R., Bowie J.U., and Eisenberg D. Nature 356 (1992) 83-85
32. Peiris J., Lai S., and Poon L. Lancet 361 (2003) 1319-1325
33. Discover 3 User Guide, San Diego, MSI, USA, 1999.
34. Greenidge P.A., Carlsson B., and Bland L.G. J. Med. Chem. 41 (1998) 2503-2512
35. Chen L., Gui C., and Luo X. J. Virol. 79 (2005) 7095-7103
36. Lin C.W., Tsai C.H., and Tsai F.J. FEBS Lett. 574 (2004) 131-137
37. Insight II, Version 98.0, San Diego, MSI, 1998.