Linear regression based QSPR models for the prediction of the retention mechanism of some nitrogen containing heterocycles

Journal of Liquid Chromatography and Related Technologies

Volumn 29, Issue 4, 2006, Pages 533-552

  Polyakova, Yulia ^a   Long, Mei Jin ^a   Kyung, Ho Row ^a  

^a Inha University   (South Korea)

Author keywords

Linear regression; Nitrogen containing heterocycles; QSPR; Retention factor

Indexed keywords

HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; MOLECULAR STRUCTURE; REGRESSION ANALYSIS;

NITROGEN CONTAINING HETEROCYCLES; QSPR; RETENTION FACTOR;

NITROGEN;

FUNCTIONAL GROUP; HETEROCYCLIC COMPOUND; NITROGEN;

ARTICLE; CHEMICAL STRUCTURE; CONSTANTS AND COEFFICIENTS; DRUG RETENTION; DRUG STRUCTURE; LINEAR REGRESSION ANALYSIS; LIQUID CHROMATOGRAPHY; MATHEMATICAL ANALYSIS; MATHEMATICAL MODEL; MOLECULAR MECHANICS; PREDICTION; QUANTITATIVE STRUCTURE PROPERTY RELATION; THEORETICAL STUDY;

EID: 33644642621     PISSN: 10826076     EISSN: 1520572X     Source Type: Journal    
DOI: 10.1080/10826070500479062     Document Type: Article

References (15)

1. Kleeman, A.; Engel, J.; Kutscher, B.; Reichert, D. Pharmaceutical Substances, 3rd Ed.; Stuttgart: New York, 1999.
2. Nakano, H.; Inoue, T.; Kawasaki, N.; Miyataka, H.; Matsumoto, H.; Taguchi, T.; Inagaki, N.; Nagai, H.; Satoh, T. Synthesis and biological activities of novel antiallergic agents with 5-lipoxygenase inhibiting action. Bioorg. Med. Chem. 2000, 8, 373.
3. Delmas, F.; Timon-David, P. Functional derivatives of 5-benzo[1,3]dioxol-5-yl-1-methyl-1H-imidazole-2-carbaldehyde and evaluation of leishmanicidal activity. Eur. J. Med. Chem. 2000, 35, 157.
4. Kendi, E.; Stables, J.P. Synthesis of some 1-(2-naphthyl)-2-(imidazole-1- yl)ethanone oxime and oxime ether derivatives and their anticonvulsant and antimicrobial activities. Eur. J. Med. Chem. 2001, 36, 421.
5. Khabnadideh, S.; Rezaei, Z.; Khalafi-Nezhad, A.; Bahrinajafi, R.; Mohamadi, R.; Farrokhroz, A.A. Synthesis of N-alkylated derivatives of imidazole as antibacterial agents. Bioorg. Med. Chem. Lett. 2003, 13, 2863.
6. Antolini, M.; Boaaoli, A.; Ghiron, C.; Kennedy, G.; Rossi, T.; Ursini, A. Analogues of 4,5-bis(3,5-dichlorophenyl)-2-trifluoromethyl-1H-imidazole as potential antibacterial agents. Bioorg. Med. Chem. Lett. 1999, 9, 1023.
7. Feng, Y.Q.; Liu, M.C.; Hu, Z.C. Chin. J. Chromatogr. 1986, 4, 259.
8. Roca, R.M.S.; Albarez, F.J.G. Molecular topology and chromatographic retention parameters for benzodiazepines. J. Chromatogr. A. 1992, 607, 91.
9. Lee, S.K.; Lee, I.H.; Kim, H.J.; Chang, G.S.; Chung, J.E.; No, K.T. The 14th European Symposium on Quantitative Structure-Activity Relationships, 2002, Bournemouth, U.K.
10. Zhao, H.; Zhang, Q.; Chen, J.; Xue, X.; Liang, X. Prediction of octanol-air partition coefficients of semivolatile organic compounds based on molecular connectivity index. Chemosphere 2005, 59, 1421.
11. Bajaj, S.; Sambi, S.S.; Madan, A.K. Topological models for prediction of anti-HIV activity of acylthiocarbamates. Bioorg. Med. Chem. 2005, 13, 3263.
12. Lee, S.K.; Polyakova, Y.; Row, K.H. Interrelation of retention factor of amino-acids by QSPR and linear regression. Bull. Korean Chem. Soc. 2003, 24 (12), 1757.
13. Lučić, B.; Miličević, A.; Nikolić, S.; Trinajstić, N. Harary index-twelve years later. C.C.A.C.A.A. 2002, 75 (4), 847.
14. Thakur, A.; Thakur, M.; Khadikar, P.V.; Supuran, C.T.; Sudele, P. QSAR study on benzenesulphonamide carbonic anhydrase inhibitors: topological approach using Balaban index. Bioorg. Med. Chem. 2004, 12, 789.
15. Bajaj, S.; Sambi, S.S.; Madan, A.K. Topological models for prediction of anti-inflammatory activity of N-arylanthranilic acids. Bioorg. Med. Chem. 2004, 12, 3695.