Structure-based 3D-QSAR studies on heteroarylpiperazine derivatives as 5-HT3 receptor antagonists

European Journal of Medicinal Chemistry

Volumn 42, Issue 7, 2007, Pages 977-984

  Zhou, Ya Ju ^a   Zhu, Li Ping ^a   Tang, Yun ^b   Ye, De Yong ^a  

^a FUDAN UNIVERSITY   (China)

^b EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

5 HT3 receptor; CoMFA; CoMSIA; Structure based 3D QSAR

Indexed keywords

GRANISETRON; PIPERAZINE; QUINOLINE; SEROTONIN ANTAGONIST;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; DRUG STRUCTURE; HYDROPHOBICITY; MATHEMATICAL ANALYSIS; NONHUMAN; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; PIPERAZINES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, SEROTONIN, 5-HT3; SOFTWARE;

EID: 34250187083     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2006.12.029     Document Type: Article

References (17)

1. Lopreato G.F., and Banerjee P. Mol. Brain Res. 118 (2003) 45-51
2. Israili Z.H. Curr. Med. Chem. - Central Nervous System Agents 1 (2001) 171-199
3. Boess F.G., and Martin I.L. Neuropharmacology 33 (1994) 275-317
4. Brejc K., Van Dijk W.J., Klaassen R.V., Schuurmans M., Van der Oost J., Smit A.B., and Sixma T.K. Nature (2001) 269-411
5. Zhu L.-P., Ye D.-Y., and Tang Y. J. Mol. Model. 13 (2007) 121-131
6. Maksay G., Bikádi Z., and Simonyi M.J. J. Recept. Signal Transduct. Res. 23 (2003) 255-270
7. Cappelli A., and Gallelli A. J. Med. Chem. 48 (2005) 3564-3575
8. Cramer III R.D., Patterson D.E., and Bunce J.D. J. Am. Chem. Soc. 110 (1998) 5959-5967
9. Klebe G., Abraham U., and Mietzner T.J. J. Med. Chem. 37 (1994) 4130-4146
10. SYBYL v6.9 Molecular Modeling Software, Tripos Associates, Inc.: 1669, South Hanley Road, Suite 303, St. Louis, Missouri, MO 63144-2913, USA. .
11. GOLD v2.2 CCDC Software Ltd., 12 Union Road, Cambridge CB2 1EZ, United Kingdom. http://www.ccdc.cam.ac.uk.
12. Jones G., Willett P., Glen R.C., Leach A.R., and Taylor R. J. Mol. Biol. 267 (1997) 727-748
13. Jones G., Willett P., and Glen R.C. J. Mol. Biol. 245 (1995) 43-53
14. Wold S., Ruhe A., Wold H., and Dunn III W.J. SIAM J. Sci. Stat. Comput. 5 (1984) 735-743
15. Cramer III R.D., Bunce J.D., and Patterson D.E. Quant. Struct.-Act. Relat. 7 (1988) 18-25
16. Bush B.L., and Nachbar Jr. R.B. J. Comput. Aided Mol. Des 7 (1993) 587-619
17. Wang R., Fu Y., and Lai L. J. Chem. Inf. Comput. Sci. 37 (1997) 615-621.