Chemometrical study of the anaesthetical activity of alkoxyphenylcarbamic acid esters

Pharmazie

Volumn 65, Issue 3, 2010, Pages 169-174

  Durcekova, T ^a   Mocak, Jan ^a   Lehotay, J ^b   Cizmarik J ^c   Boronova, K ^a  

^a UNIVERSITY OF SS CYRIL AND METHODIUS   (Slovakia)

^b SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

^c Physics and Informatics   (Slovakia)

Author keywords

[No Author keywords available]

Indexed keywords

ALKOXYPHENYLCARBAMIC ACID ESTER; AZEPAN 1 YLETHYL; CARBON; DIMETHYLAMINOETHYL; ESTER DERIVATIVE; MORPHOLIN 4 YLETHYL; PIPERIDIN 1 YLETHYL; PIPERIDIN 1 YLPROPYL; UNCLASSIFIED DRUG;

ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMICAL STRUCTURE; CHEMOMETRICS; CLUSTER ANALYSIS; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; HUMAN; LIPOPHILICITY; MOLAR TOOTH; PREDICTION;

ANESTHETICS; ANTITUBERCULAR AGENTS; CARBAMATES; CLUSTER ANALYSIS; ESTERS; MAGNETIC RESONANCE SPECTROSCOPY; MICROBIAL SENSITIVITY TESTS; MYCOBACTERIUM TUBERCULOSIS; NEURAL NETWORKS (COMPUTER); PRINCIPAL COMPONENT ANALYSIS; SOFTWARE;

EID: 77949411796     PISSN: 00317144     EISSN: None     Source Type: Journal    
DOI: 10.1691/ph.2010.9691     Document Type: Article

References (28)

1. Altomare C, Cellamare S, Summo L, Fossa P, Mosti L, Carotti A (2000) Ionization behaviour and tautomerism-dependent lipophilicity of pyridine-2(1H)-one cardiotonic agents. Bioorg Med Chem 8: 909-916.
2. Arakawa M, Hasegawa K, Funatsu K (2006) QSAR study of anti-HIV HEPT analogues based on multi-objective genetic programming and counter-propagation neural network. Chemom Intell Lab Syst 83: 91-98.
3. Bratchell N (1987) Cluster analysis. Chemom Intell Lab Syst 6: 105-125.
4. Fatemi MH, Gharaghani S (2007) A novel QSAR model for prediction of apoptosis-inducing activity of 4-aryl-4-H-chromenes based on support vector machine. Bioorg Med Chem 15: 7746-7754.
5. Gendrin C, Roggo Y, Collet C (2008) Pharmaceutical applications of vibrational chemical imaging and chemometrics: A review. J Pharm Biomed Anal 48: 533-553.
6. Gonzáles-Arjona D, López Pérez G, Gonzáles AG (2002) Non-linear QSAR modeling by using multilayer perceptron feedforward neural networks trained by back-propagation. Talanta 56: 79-90.
7. Hansch C, Kurup A, Garg R, Gao H (2001) Chem-Bioinformatics and QSAR: A Review of QSAR Lacking Positive Hydrophobic Terms. Chem Rev 101: 619-672.
8. Hansch C, Leo A (1995) Exploring QSAR. Amer Chem Soc, Washington, DC.
9. Hatrík Š, Lehotay J, Čižmárik J (1995a) Study of relationship between surface anaesthesia and chromatographic properties of alkoxyesters of phenylcarbamic acid by neural network method. Part I. Collect Czech Chem Commun 60: 960-965.
10. Hatrík Š, Lehotay J, Čižmárik J (1995b) Possibility of anaesthetical activity prediction of N-(Pyrrolidinyl)ethyl esters of alkoxyphenylcarbamic acids. Collect Czech Chem Commun 60: 1410-1414.
11. Hemmateenejad B, Miri R, Akhond M, Shamsipur M (2002) Chemom Intell Lab Syst 64: 91-99.
12. Hemmateenejad BM (2005) Chemom Intell Lab Syst 75: 231-254.
13. Hollósy F, Lóránd T, Örfi L, Erös D, Kéri G, Idei M (2002) Relationship between lipophilicity and antitumor activity of molecule library of Mannich ketones determined by high-performance liquid chromatography, clog P calculation and cytotoxicity test. J Chromatogr B 768: 361-368.
14. Katritzky AR, Dobchev DA, Hür E, Fara DC, Karelsonc M (2005) QSAR treatment of drugs transfer into human breast milk. Bioorg Med Chem 13: 1623-1632.
15. Khattree R, Naik DN (2000) Multivariate Data Reduction and Discrimination. SAS Institute, Cary, North Carolina.
16. Massart DL, Vandeginste B, Buydens L, De Jong S, Lewi P, Smeyers-Verbeke J (1997) Handbook of Chemometrics and Qualimetrics, Part A. In: Vandeginste BGM, Rutan SC (ed.) Data handling in science and technology 20A, Elsevier, Amsterdam.
17. Nemecek P, Durcekova T, Mocak J,Waisser K (2009) Chemometrical analysis of computed QSAR parameters and their use in biological activity prediction. Chem Pap 63: 84-91.
18. Perioli L, Ambrogi V, Bernardini C, Grandolini G, Ricci M, Giovagnoli S, Rossi C (2004) Potential prodrugs of non-steroidal anti-inflammatory agents for targeted drug delivery to the CNS. Eur. J Med Chem 39: 715-727.
19. Remko M, von der Lieth CW (2004) Theoretical study of gas-phase acidity, pKa, lipophilicity, and solubility of some biologically active sulfonamides. Bioorg Med Chem 12: 5395-5403.
20. Schmidli H (1997) Multivariate prediction for QSAR. Chemom Intell Lab Syst 37: 125-134.
21. Trajan Software (2005). Trajan 6.0 Professional [computer software]. Low Toynton, Horncastle: Trajan Software, Ltd.
22. Vandeginste B, Massart DL, Buydens L, De Jong S, Lewi P, Smeyers-Verbeke J (1998) Handbook of Chemometrics and Qualimetrics, Part B. In: Vandeginste BGM, Rutan SC (ed.) Data handling in science and technology 20B, Amsterdam, Elsevier.
23. Waisser K, Doležal R, Palát K, Čižmá rik J, Kaustová J (2006) QSAR study of antimycobacterial activity of quarternary ammonium salts of piperidinylethyl esters of alkoxysubstituted phenylcarbamic acids. Folia Microbiol. 51: 21-24.
24. Waisser K, Dražková K, Čižmárik J, Kaustová J (2003) Antimycobacterial activity of basic ethyl esters of alkoxysubstituted phenylcarbamic acids. Folia Microbiol. 49: 265-268.
25. Waisser K, Dražková K, Čižmárik J, Kaustová J (2004) A new group of potential antituberculotics: Hydrochlorides of piperidinylalkylesters of alkoxysubstituted phenylcarbamic acids. Folia Microbiol. 49: 265-268.
26. Wold S, Sjöström M (1998) Chemometrics, present and future success. Chemom Intell Lab Syst 44: 3-14.
27. Wold S, Trygg J, Berglund A, Antii H (2001) Some recent developments in PLS modeling. Chemom Intell Lab Syst 58: 131-150.
28. Yang SS, Lu WC, Gu TH, Yan LM, Li GZ (2008) QSPR Study of n-Octanol/Water Partition Coefficient of Some Aromatic Compounds Using Support Vector Regression. QSAR Comb Sci 28: 175-182.