Molecular docking in xin-ke-shu preparation's multi-target effect on coronary heart disease

Wuli Huaxue Xuebao/ Acta Physico - Chimica Sinica

Volumn 28, Issue 5, 2012, Pages 1257-1264

  Hu, Yan Bao ^a   Peng, Jing Bo ^a   Gu, Shuo ^b   Pei, Jian Feng ^b   Zou, Zhong Mei ^a  

^a INSTITUTE OF MEDICINAL PLANT DEVELOPMENT   (China)

^b PEKING UNIVERSITY   (China)

Author keywords

Coronary heart disease; Docking; Enrichment factor; Multi target effect; Traditional Chinese medicine; Xin Ke Shu

Indexed keywords

EID: 84860434333     PISSN: 10006818     EISSN: None     Source Type: Journal    
DOI: 10.3866/PKU.WHXB201202212     Document Type: Article

References (46)

1. Mozaffarian, D.; Micha, R.; Wallace, S. PLos Med. 2010, 7 (3), e1000252.
2. Zhang, X. H.; Lu, Z. L.; Liu, L. Heart 2008, 94, 1126.
3. Liu, WD.; Yuan, Q. Shaanxi Journal of Traditional Chinese Medicine 2007, 28, 1527.
4. Zhang, Q.; Yu, X. H.; Sun, N. L. Chinese Journal of Practical Internal Medicine 2007, 27, 1301.
5. Ji, B. Z.; Zhang, J. H.; Ji, J. J. Shandong Journal of Traditional Chinese Medicine 2005, 24, 150.
6. Zhao, Z. M.; Zhao, WW. Traditional Chinese Drug Research & Clinical Pharmacology 2005, 16, 106.
7. Lu, J. P.; Ouyang, J. P. Liaoning Journal of Traditional Chinese Medicine 2002, 29, 302.
8. Lu, J. P.; Ouyang, J. P. Medical Journal of Wuhan University 2003, 24, 254.
9. Zeng, M. G.; Chen, L.W.; Zheng, C. S.; Du, J. Chinese Journal of New Drugs and Clinical Remedies 2007, 26, 892.
10. Zheng, C. S.; Chen, L.W.; Du, J.; Ye, H. Z. Chinese Journal of Clinical Pharmacology and Therapeutics 2007, 12, 892.
11. Ma, S. T.; Liu, P. X.; Long, W.; Yu, J.; Xu, Y. Acta Phys. -Chim. Sin. 2009, 25, 2080.
12. Huang, Q.; Qiao, X. B.; Xu, X. J. Bioorg. Med. Chem. Lett. 2007, 17, 1779.
13. Gu, J. Y.; Yuan, G.; Zhu, Y. H.; Xu, X. J. Science in China Series B: Chemistry 2009, 39, 1415.
14. Zheng, C. S.; Huang, Q.; Li, X. D.; Liu, X. X.; Xu, X. J. Comput. Appl. Chem. 2009, 26, 9.
15. Li, H. L.; Gao, Z. T.; Kang, L.; Zhang, H. L.; Yang, K.; Yu, K. Q.; Luo, X. M.; Zhu, W L.; Chen, K. X.; Shen, JH.;Wang, XC.; Jiang, HL. Nucleic Acids Res. 2006, 34 (Suppl.2),W219.
16. Zhang, SD.; Lu, WQ.; Liu, XF.; Diao, YY.; Bai, F.; Wang, LY.; Shan, L.; Huang, J.; Li, H. L.; Zhang, WD. Med. Chem. Commun. 2011, 2, 471.
17. Warren, G. L.; Andrews, C.W.; Capelli, A.; Clarke, B.; Lalonde, J.; Lambert, M. H.; Lindvall, M.; Nevins, N.; Semus, S. F.; Senger, S.; Tedesco, G.;Wall, ID.; Woolven, JM.; Peishoff, CE.; Head, MS. J. Med. Chem. 2006, 49, 5912.
18. Diller, D. J.; Merz, K. M., Jr. Proteins: Struct. Funct. Genet. 2001, 43, 113.
19. Morris, G. M.; Huey, R.; Lindstrom, W.; Sanner, M F.; Belew, RK.; Goodsell, DS.; Olson, AJ. J. Comput. Chem. 2009, 30, 2785.
20. Chen, R. J.; Chung, T. Y.; Li, F. Y.; Yang, W. H.; Jinn, T. R.; Tzen, J. T. Acta Pharmacol. Sin. 2010, 31, 696.
21. Chen, R. J.; Chung, T. Y.; Li, F. Y.; Lin, N. H.; Tzen, J. T. Acta Pharmacol. Sin. 2009, 30, 61.
22. Khan, I.; Nisar, M.; Ebad, F.; Nadeem, S.; Saeed, M.; Khan, H.; Samiullah; Khuda, F.; Karim, N.; Ahmad, Z. J. Ethnopharmacol. 2009, 121, 175.
23. Konkimalla, V. B.; Efferth, T. Biochem. Pharmacol. 2010, 80, 39.
24. Smellie, A.; Teig, S. L.; Towbin, P. J. Comput. Chem. 1995, 16, 171.
25. Goodford, P. J. J. Med. Chem. 1985, 28, 849.
26. Morris, G. M.; Goodsell, D. S.; Halliday, R. S.; Huey, R.; Hart, W. E.; Belew, R. K.; Olson, A. J. J. Comput. Chem. 1998, 19, 1639.
27. Accelrys Software Inc. Discovery Studio Modeling Environment, Release 2.5.5; Accelrys Software Inc.: San Diego, USA, 2010.
28. Morris, G. M.; Huey, R.; Lindstrom, W., et al. AutoDock, Release 4.2.3; The Scripps Research Institute: La Jolla, USA, 2010.
29. Peng, J. B.; Jia, H. M.; Liu, Y. T.; Zhang, H.W.; Dong, S.; Zou, Z. M. J. Pharm. Biomed. Anal. 2011, 55, 984.
30. CambridgeSoft Corp. ChemDraw Ultra 8.0, Version 8.0; CambridgeSoft Corp.: Cambridge, USA, 2003.
31. CambridgeSoft Corp. Chem3D Ultra 8.0, Version 8.0; CambridgeSoft Corp. Cambridge, USA, 2003.
32. Allinger, N. L. J. Am. Chem. Soc. 1977, 99, 8127.
33. Berman, HM.; Westbrook, J.; Feng, Z.; Gilliland, G.; Bhat, TN.; Weissig, H.; Shindyalov, IN.; Bourne, P. E. Nucleic Acids Res. 2000, 28, 235.
34. Bekhit, A. A.; Fahmy, H. T. Y.; Rostom, S. A. F.; Bekhit, A. E. A. Eur. J. Med. Chem. 2010, 45, 6027.
35. Ghodsi, R.; Zarghi, A.; Daraei, B.; Hedayati, M. Bioorg. Med. Chem. 2010, 18, 1029.
36. El-Sayed, M. A. A.; Abdel-Aziz, N. I.; Abdel-Aziz, A. A. M.; El-Azab, A. S.; Asiri, Y. A.; El-Tahir, K. E. H. Bioorg. Med. Chem. 2011, 19, 3416.
37. Wu, D. H.; Xu, X. J. Acta Phys. -Chim. Sin. 2009, 25, 446.
38. Gohlke, H.; Hendlich, M.; Klebe, G. J. Mol. Biol. 2000, 295, 231.
39. Huang, N.; Shoichet, B. K.; Irwin, J. J. J. Med. Chem. 2006, 49, 6789.
40. DUD-A Directory of Useful Decoys. http://dud.docking.org/accessed May 24,2011.
41. Gai, W.; Zhang, YL.; Ai, L.; Qiao, YJ, Chin J. Nat. Med. 2010, 8, 51.
42. Hilpert, K.; Ackermann, J.; Banner, D.W.; Gast, A.; Gubernator, K.; Hadváry, P.; Labler, L.; Müller, K.; Schmid, G.; Tschopp, T. B.; van deWaterbeemd, H. J. Med. Chem. 1994, 37, 3889.
43. Delano, W. L. The PyMOL Molecular Graphics System, Version 1.3; Schrödinger, LLC: New York, USA, 2010.
44. Fan, H. Y.; Fu, F. H.; Yang, M. Y.; Xu, H.; Zhang, A. H.; Liu, K. Thromb. Res. 2010, 126, e17.
45. Sun, A. J.; Liu, H. Y.; Wang, S. J.; Shi, D. Z.; Xu, L.; Cheng, Y.; Wang, K. Q.; Chen, K. J.; Zou, Y. Z.; Ge, J. B. Br. J. Pharmacol. 2011, 164, 2042.
46. Duan, A. X.; Chen, J.; Liu, H. D.; Liu, X. H.; Lu, X. Q. J. Anal. Sci. 2009, 25, 473.