Computational neural network analysis of the affinity of N-n-alkylnicotinium salts for the 4αβ27* nicotinic acetylcholine receptor

Journal of Enzyme Inhibition and Medicinal Chemistry

Volumn 24, Issue 1, 2009, Pages 157-168

  Zheng, Fang ^a   Zheng, Guangrong ^a   Deaciuc, A Gabriela ^a   Zhan, Chang Guo ^a   Dwoskin, Linda P ^a   Crooks, Peter A ^a  

^a University of Kentucky   (United States)

Author keywords

Binding affinity; Linear regression; N n alkylnicotinium salts; Neural network; Nicotinic acetylcholine receptor

Indexed keywords

ALKYL GROUP; BUTANE; CARBON; HISTONE H3; NICOTINE; NICOTINIC RECEPTOR; NICOTINIC RECEPTOR BLOCKING AGENT; NICOTINIUM SALT DERIVATIVE; QUATERNARY AMMONIUM DERIVATIVE; RECEPTOR SUBTYPE; UNCLASSIFIED DRUG;

ARTICLE; ARTIFICIAL NEURAL NETWORK; COMPUTER PREDICTION; CONTROLLED STUDY; DRUG RECEPTOR BINDING; DRUG STRUCTURE; DRUG SYNTHESIS; EXPERIMENTAL DESIGN; MATHEMATICAL COMPUTING; MOLECULAR MODEL; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS; VIRTUAL REALITY;

ANIMALS; BASAL GANGLIA; CELL MEMBRANE; NEURAL NETWORKS (COMPUTER); NICOTINE; PROTEIN BINDING; QUATERNARY AMMONIUM COMPOUNDS; RADIOLIGAND ASSAY; RATS; RECEPTORS, NICOTINIC; STRUCTURE-ACTIVITY RELATIONSHIP;

RATTUS;

EID: 59049087537     PISSN: 14756366     EISSN: 14756374     Source Type: Journal    
DOI: 10.1080/14756360801945648     Document Type: Article

References (34)

1. Quik, M. (2004) Trends Neurosci, 27, pp. 561-568.
2. Hogg, RC and Bertrand, D. (2004) Science, 306, pp. 983-985.
3. Tapper, AR, McKinney, SL, Nashmi, R., Schwarz, J., Deshpande, P., Labarca, C., Whiteaker, P., Marks, MJ, Collins, AC and Lester, HA (2004) Science, 306, pp. 1029-1032.
4. Paradiso, KG and Steinbach, JH (2003) J Physiol, 553, pp. 857-871.
5. Jensen, AA, Frolund, B., Liljefors, T. and Krogsgaard-Larsen, P. (2005) J Med Chem, 48:15, pp. 4705-4745.
6. Romanelli, MN and Gualtieri, F. (2003) Med Res Rev, 23:4, pp. 393-397.
7. Crooks, PA, Ayers, JT, Xu, R., Sumithran, SP, Grinevich, VP, Wilkins, LH, Deaciuc, AG, Allen, DD and Dwoskin, LP (2004) Bioorg Med Chem Letters, 14, pp. 1869-1874.
8. Dwoskin, LP, Sumithran, SP, Zhu, J., Deaciuc, AG, Ayers, JT and Crooks, PA (2004) Bioorg Med Chem Letters, 14, pp. 1863-1865.
9. Xu, R., Dwoskin, LP, Grinevich, V., Sumithran, SP and Crooks, PA (2002) Drug Dev Res, 55, pp. 173-186.
10. Wilkins, LH, Haubner, A., Ayers, JT, Crooks, PA and Dwoskin, LP (2002) J Pharmacol Exp Ther, 301, pp. 1088-1096.
11. Wilkins, LH, Grinevich, VP, Ayers, JT, Crooks, PA and Dwoskin, LP (2003) J Pharmacol Exp Ther, 304, pp. 400-410.
12. Crooks, PA, Ravard, A., Wilkins, LH, Teng, LH, Buxton, ST and Dwoskin, LP (1995) Drug Dev Res, 36, pp. 91-102.
13. Dwoskin, LP and Crooks, PA (2001) J Pharmacol Exp Ther, 298, pp. 395-402.
14. Huang, XQ, Zheng, F., Crooks, PA, Dwoskin, LP and Zhan, C-G (2005) J Am Chem Soc, 127, pp. 14401-14414.
15. Edelstein, HA (1999) Introduction to data mining and knowledge discovery, Two Crows Corp, Potomac, MD
16. Zheng, F., Bayram, E., Sumithran, SP, Ayers, JT, Zhan, C-G, Schmitt, JD, Dwoskin, LP and Crooks, PA (2006) Bioorg Med Chem, 14:9, pp. 3017-3037.
17. Orre, R., Lansner, AB and Lindquist, M. (2000) Computational statistics and data analysis. 34, pp. 473-493.
18. Fernandez, M. and Caballero, J. (2006) J Mol Graph Model, 25, pp. 410-422.
19. Fernandez, M., Carreiras, MC, Marco, JL and Caballero, J. (2006) J Enz Inhib Med Chem, 21, pp. 647-661.
20. Caballero, J., Tundidor-Camba, A. and Fernandez, M. (2007) QSAR Comb Sci, 26, pp. 27-40.
21. Gonzalez, MP, Caballero, J., Tundidor-Camba, A., Helguera, AM and Fernandez, M. (2006) Bioorg Med Chem, 14, pp. 200-213.
22. Guha, R. and Jurs, PC (2005) J Chem Inf Model, 45, pp. 800-806.
23. Guha, R., Stanton, DT and Jurs, PC (2005) J Chem Inf Model, 45, pp. 1109-1121.
24. Caballero, J., Fernandez, L., Abreu, JI and Fernandez, M. (2006) J Chem Inf Model, 46, pp. 1255-1268.
25. Cherqaoui, D. and Villemin, D. (1994) J Chem Soc Faraday Trans, 90, pp. 97-102.
26. Eckenhoff, RG, Tanner, JW and Johansson, JS (1999) Mol Pharmacol, 56, pp. 414-418.
27. Glennon, RA, Dukat, M. and Liao, L. (2004) Curr Top Med Chem, 4:6, pp. 631-644.
28. Nicolotti, O., Altomare, C., Pellegrini-Calace, M. and Carotti, A. (2004) Curr Top Med Chem, 4:3, pp. 335-360.
29. Zhang, H., Li, H. and Liu, C. (2005) J Chem Inf Model, 45:2, pp. 440-448.
30. Zhang, H., Li, H. and Ma, Q. (2007) J Mol Graph Model, 26:1, pp. 226-235.
31. Audouze, K., Nielsen, EØ, Olsen, GM, Ahring, P., Jørgensen, TD, Peters, D., Liljefors, T. and Balle, T. (2006) J Med Chem, 49:11, pp. 3159-3171.
32. Ji, J., Schrimpf, MR, Sippy, KB, Bunnelle, WH, Li, T., Anderson, DJ, Faltynek, C., Surowy, CS, Dyhring, T., Ahring, PK and Meyer, MD (2007) J Med Chem, 50:22, pp. 5493-5508.
33. Basu, A., Gayen, S., Samanta, S., Panda, P., Srikanth, K. and Jha, T. (2006) Canadian J Chem, 84:3, pp. 458-463.
34. Ayers, JT, Clauser, A., Schmitt, JD, Dwoskin, LP and Crooks, PA (2005) AAPS Journal: AAPS-NIDA Symposium. Frontiers in Science: Drug Addiction: From Basic Research to Therapeutics, 7:3, pp. E678-E685.