Volsurf analysis of carbapenem antibiotics

Bioorganic and Medicinal Chemistry

Volumn 13, Issue 10, 2005, Pages 3339-3349

  Doddareddy, Munikumar Reddy ^a   Cha, Joo Hwan ^a   Cho, Yong Seo ^a   Koh, Hun Yeong ^a   Yoo, Kyung Ho ^a   Kim, Dong Jin ^a   Pae, Ae Nim ^a  

^a Korea Institute of Science and Technology   (South Korea)

Author keywords

Carbapenem; PCA; PLS; Volsurf

Indexed keywords

ANTIBIOTIC AGENT; CARBAPENEM DERIVATIVE;

ANALYTIC METHOD; ANTIBACTERIAL ACTIVITY; ARTICLE; COMPARATIVE STUDY; CONTROLLED STUDY; DATA ANALYSIS; DRUG ACTIVITY; DRUG SCREENING; ESCHERICHIA COLI; GRAM NEGATIVE BACTERIUM; GRAM POSITIVE BACTERIUM; MODEL; NONHUMAN; PREDICTION; PRINCIPAL COMPONENT ANALYSIS; REGRESSION ANALYSIS; SCORING SYSTEM; STAPHYLOCOCCUS AUREUS; VALIDATION PROCESS;

ESCHERICHIA COLI; NEGIBACTERIA; POSIBACTERIA; STAPHYLOCOCCUS AUREUS;

EID: 17544363572     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2005.03.018     Document Type: Article

References (29)

1. D.H. Shih, F. Baker, L. Cama, and B.G. Christensen Heterocycles 21 1984 29
2. Shih, D. H.; Cama, L.; Christensen, B. G. Abstract 33, 23rd Interscience Conference on Antimicrobial Agents and Chemotherapy, Las Vegas, NV, 1983
3. W.J. Leanza, K.J. Wildonger, T.W. Miller, and B.G. Christensen J. Med. Chem. 22 1979 1435
4. T. Miyadera, T. Sugimura, T. Hasimoto, T. Tanaka, K. Iino, and S. Sugawara J. Antibiot. 36 1983 1034
5. Y. Fukasawa, and T. Okuda J. Antibiot. 43 1990 314
6. M. Sunagawa, H. Matsumure, T. Inoue, M. Fukasawa, and M. Kato J. Antibiot. 43 1990 519
7. F.M. Kahan, H. Kropp, and J.G. Sundelof Thienamycin: development of imipenem-cilastatin J. Antimicrob. Chemother. 12 1983 1
8. J. Shimada, and Y. Kawahara Overview of a new carbapenem, panipenem/betamipron Drugs Exp. Clin. Res. 20 1994 241
9. G. Cruciani, M. Pastor, and W. Guba Eur. J. Pharm. Sci. 11-2 2000 S29
10. G. Cruciani, P. Crivori, P.A. Carrupt, and B. Testa Molecular fields in quantitative structure-permeation relationships: the VolSurf approach THEOCHEM 503 2000 17
11. G. Cianchetta, R. Mannhold, G. Cruciani, M. Baroni, and V. Cecchetti J. Med. Chem. 47 2004 3193
12. P. Crivori, G. Cruciani, P.-A. Carrupt, and B. Testa J. Med. Chem. 43 2000 2204
13. Y.K. Kang, K.J. Shin, K.H. Yoo, K.J. Seo, S.Y. Park, D.J. Kim, and S.W. Park Bioorg. Med. Chem. Lett. 9 1999 2385
14. D.J. Kim, K.J. Seo, K.S. Lee, K.J. Shin, K.H. Yoo, D.C. Kim, and S.W. Park Bioorg. Med. Chem. Lett. 10 2000 2799
15. K.J. Shin, K.D. Koo, K.H. Yoo, D.C. Kim, D.J. Kim, and S.W. Park Bioorg. Med. Chem. Lett. 10 2000 1421
16. Y.K. Kang, K.J. Shin, K.H. Yoo, K.J. Seo, C.Y. Hong, K.S. Lee, S.Y. Park, D.J. Kim, and S.W. Park Bioorg. Med. Chem. Lett. 10 2000 95
17. J.H. Lee, K.S. Lee, Y.K. Kang, K.H. Yoo, K.J. Shin, D.C. Kim, J.Y. Kong, Y. Lee, S.J. Lee, and D.J. Kim Bioorg. Med. Chem. Lett. 13 2003 4399
18. M. Clark, R.D. Cramer III, and N. Van Opdenbosch The tripos force field J. Comput. Chem. 10 1989 982
19. SYBYL 6.9. Tripos Inc., 1699 Hanley Road, St. Louis, MO 63144
20. Volsurf version 3.0 software by Molecular Discovery Ltd, 2000-2004
21. S. Wold, K. Esbensen, and P. Geladi Principal component analysis Chemom. Intell Lab. Syst. 2 1987 37 52
22. W.J. Dunn, and S. Wold Pattern Recognition Techniques in Drug Design C. Hansch P.G. Sammes J.B. Taylor Comprehensive Medicinal Chemistry Vol. 4 1990 Pergamon Oxford 691 714
23. G. Cruciani, and S. Clementi GOLPE: Philosophy and Applications in 3D-QSAR H. van de Waterbeemd Advanced Computer-Assisted Techniques in Drug Discovery 1994 VCH Weinheim 61 88
24. G. Cruciani, S. Clementi, M. Baroni, and M. Pastor Recent Development in 3D-QSAR Methodologies Rational Molecular Design in Drug Research T. Liljefors F.S. Jorgensen P. Krogsgaard-Larsen Alfred Benzon Symposium 42 1998 Munskgaard Copenhagen 87 97
25. S. Wold, C. Albano, W.J. Dunn III, U. Edlund, K. Esbensen, P. Geladi, S. Helberg, E. Johansson, W. Lindberg, and M. Sjostrom Multivariate Data Analysis in Chemistry B.R. Kowalsky Chemometrics Mathematics and Statistics in Chemistry 1983 Holland Dordrecht 17 96
26. S. Clementi, G. Cruciani, G. Curti, and B. Skagerberg PLS response surface optimisation: the CARSO procedure J. Chemom. 3 1989 499
27. G. David R. Gruneberg Antibiotics of the Beta-Lactam group 1982 John Wiley and Sons London
28. H.F. Chambers B.G. Katzung Beta-Lactam Antibiotics and Other Inhibitors of Cell Wall Synthesis 2001 McGraw-Hill New York
29. J.G. Hardman, L.E. Linbird, P.B. Molinoff, R.W. Ruddon, and A.G. Gilman Goodman and Gilman's The Pharmacological Basis of Therapeutics 9th ed. 1996 New York McGraw Hill