Three-dimensional quantitative structure-activity relationship analyses of a series of cinnamamides

Chemometrics and Intelligent Laboratory Systems

Volumn 56, Issue 2, 2001, Pages 123-132

  Hou, Tingjun ^a   Xu, Xiaojie ^a  

^a PEKING UNIVERSITY   (China)

Author keywords

3D QSAR; All space searching (ASS); Cinnamamides; CoMFA; CoMSIA

Indexed keywords

ANTICONVULSIVE AGENT; CINNAMAMIDE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; DRUG RECEPTOR BINDING; DRUG STRUCTURE; HYDROPHOBICITY; MODEL; MOLECULAR INTERACTION; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS; THREE DIMENSIONAL IMAGING;

EID: 0035972911     PISSN: 01697439     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0169-7439(01)00116-2     Document Type: Article

References (20)

1. Pi Y.Q. Journal of Chinese Medicine. 58:1978;216-221.
2. Zhang X.H., Li R.L., Cai M.S. Beijing Medical College Transaction. 12:1980;83.
3. Moffet R.B. Journal of Medicinal Chemistry. 7:1964;319-325.
4. Van Heyningen E., Brown C.N. Journal of Medinal Chemistry. 6:1966;675-681.
5. Wang Y.S., Li R.L., Liu W.Q., Wang G.Q., Liu P., Xong J.M., Pei Y.Q., Yao H.Y., Gao X.M. Acta Pharmaceutica Sinica. 21:1986;542-545.
6. Wang Y.S., Li R.L., Liu W.Q., Xu X.J., Guan Y. Chinese Organic Chemistry. 8:1986;217-220.
7. Hou T.J., Wang J.M., Liao N., Xu X.J. Journal of Chemical Information and Computer Science. 39:1999;775-781.
8. Cramer R.D., Patterson D.E., Bunce J.D. Journal of the American Chemical Society. 110:1988;5959-5967.
9. Klebe G., Abraham U., Mietzner T. Journal of Medicinal Chemistry. 37:1994;4130-4146.
10. Klebe G. Perspectives in Drug Discovery and Design. 12:1998;87-104.
11. Klebe G., Abraham U. Journal of Computer Aided Molecular Design. 13:1999;1-10.
12. Bohm M., Sturzebecher J., Klebe G. Journal of Medicinal Chemistry. 42:1999;458-477.
13. Li R.L., Wang Y.S. Acta Pharmaceutica Sinica. 21:1986;580-585.
14. Sybyl 6.5 User Guide, Tripos, St. Louis, USA, 1998.
15. Halgren T.A. Journal of Computational Chemistry. 17:1996;490-519.
16. Mopac 7.0, User's Guide, Quantum Chemistry Program Exchange, 1993.
17. Bush B.L., Nachbar R.B. Journal of Computer Aided Molecular Design. 7:1993;587-619.
18. SPL Manual of Sybyl 6.5, Tripos, St. Louis, USA, 1998.
19. Matter H., Schwab W. Journal of Medicinal Chemistry. 42:1999;4506-4523.
20. Matter H., Schwab W., Barbier D., Billen G., Haase B., Neises B., Schudok M., Thorwart W., Schreuder H., Brachvogel V., Lönze P., Weithmann K.U. Journal of Medicinal Chemistry. 42:1999;1908-1920.