QSAR modeling of neonicotinoid insecticides for their selective affinity towards Drosophila nicotinic receptors over mammalian α4β 2 receptors

Canadian Journal of Chemistry

Volumn 84, Issue 3, 2006, Pages 458-463

  Basu, Anindya ^a   Gayen, Shovanlal ^a   Samanta, Soma ^a   Panda, Parthasarathi ^a   Srikanth, Kolloru ^b   Jha, Tarun ^a  

^a JADAVPUR UNIVERSITY   (India)

^b UNIVERSITY OF MINNESOTA   (United States)

Author keywords

AM1; Drosophila nicotinic receptor; Mammalian 4 2 receptor; Neonicotinoids; QSAR

Indexed keywords

BINDING ENERGY; CHEMICAL ANALYSIS; PROBABILITY; REACTION KINETICS; TOXICITY;

AM1; DROSOPHILA NICOTINIC RECEPTOR; MAMMALIAN Α4Β2 RECEPTOR; NEONICOTINOIDS; QSAR;

INSECTICIDES;

AZIDOPYRINIDYL NEONICOTINOID; INSECTICIDE; NEONICOTINOID; NICOTINIC AGENT; NICOTINIC RECEPTOR; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; CHEMICAL STRUCTURE; DROSOPHILA; INSECTICIDAL ACTIVITY; MODEL; NONHUMAN; STRUCTURE ACTIVITY RELATION; TOXICITY;

EID: 33745712412     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/V06-029     Document Type: Article

References (26)

1. N. Zhang, M. Tomizawa, and J.E. Casida. J. Med. Chem. 45, 2832 (2002).
2. W.D. Kollemeyer, R.F. Flattum, J.E. Powell, M.E. Schroeder, and S.B. Soloway. In Nicotinoid insecticides and the nicotinic acetylcholine receptor. Edited by I. Yamamoto and J.E. Casida. Springer-Verlag, Tokyo. 1999. pp. 71-89.
3. M. Tomizawa and J.E. Casida. Annu. Rev. Entomol. 48, 339 (2003).
4. M.W. Decker and M.D. Meyer. Biochem. Pharmacol. 58, 917 (1999).
5. G.K. Lloyd and M. Williams. J. Pharmacol. Exp. Ther. 292, 461 (2000).
6. M. Cordero-Erausquin, L.M. Marubio, R. Klink, and J.-P. Changeux. Trends Pharmacol. Sci. 21, 211 (2000).
7. M. Tomizawa, A. Cowan, and J.E. Casida. Toxicol. Appl. Pharmacol. 177, 77 (2001).
8. B. Debnath, S. Gayen, S.K. Naskar, K. Roy, and T. Jha. Drug. Des. Discovery, 18, 81 (2003).
9. B. Debnath, S. Gayen, A. Basu, B. Ghosh, K. Srikanth, and T. Jha. Bioorg. Med. Chem. 12, 6137 (2004).
10. K. Srikanth, C.A. Kumar, D. Goswami, A.U. De, and T. Jha. Indian J. Biochem. Biophys. 38, 120 (2001).
11. K. Srikanth, B. Debnath, and T. Jha. Bioorg. Med. Chem. 10, 1841 (2002).
12. K. Srikanth, B. Debnath, and T. Jha. Bioorg. Med. Chem. Lett. 12, 899 (2002).
13. K. Srikanth, C.A. Kumar, B. Ghosh, and T. Jha. Bioorg. Med. Chem. 10, 2119 (2002).
14. B. Debnath, K. Srikanth, S. Banarjee, and T. Jha. Internet Electron. J. Mol. Des. 1, 488 (2002) [online]. Available from http://www.biochempress.com.
15. B. Debnath, S.P. Vishnoi, B. Sa, and T. Jha. Internet Electron. J. Mol. Des. 1, 128 (2003) [online]. Available from http:// www.biochempress.com.
16. B. Debnath, S. Samanta, K. Roy, and T. Jha. Bioorg. Med. Chem. 11, 1615 (2003).
17. B. Debnath, S. Samanta, S.K. Naskar, K. Roy, and T. Jha. Bioorg. Med. Chem. Lett. 13, 2837 (2003).
18. T. Jha, B. Debnath, S. Samanta, and A.U. De. Internet Electron. J. Mol. Des. 2, 539 (2003) [online]. Available from http://www.biochempress.com.
19. B. Debnath, S. Gayen, S. Samanta, and T. Jha. Bioorg. Med. Chem. 11, 5493 (2003).
20. S. Gayen, B. Debnath, S. Samanta, and T. Jha. Bioorg. Med. Chem. 12, 1493 (2004).
21. S. Samanta, K. Srikanth, S. Banarjee, B. Debnath, S. Gayen, and T. Jha. Bioorg. Med. Chem. 12, 1413 (2004).
22. S. Samanta, B. Debnath, S. Gayen, B. Ghosh, K. Srikanth, and T. Jha. Farmaco, 10, 818 (2005).
23. M.J.S. Dewar, E.G. Zoebisch, E.F. Healy, and J.J.P. Stewart. J. Am. Chem. Soc. 107, 3902 (1985).
24. M. Besson and E.P. Batchelor. J. Biol. Phys. 30, 161 (2004).
25. Hypercube, Inc. HyperChem Professional Release 7.0 [computer program]. Hypercube, Inc., Gainesville, Florida. Available from http://www.hyper.com
26. ++ language.