Understanding the molecular behavior of organotin compounds to design their effective use as agrochemicals: Exploration via quantum chemistry and experiments

Journal of Biomolecular Structure and Dynamics

Volumn 28, Issue 2, 2010, Pages 227-238

  Ramalho, Teodorico C ^a   Rocha, Marcus V J ^a   da Cunha, Elaine F F ^a   Oliveira, Luiz C A ^a   Carvalho, Kele T G ^a  

^a FEDERAL UNIVERSITY OF LAVRAS   (Brazil)

Author keywords

Bioinorganic; DFT calculations; Molecular docking; Organotin compounds; Words

Indexed keywords

ADENOSINE TRIPHOSPHATE; AGRICULTURAL CHEMICAL; DIPHENYLTIN DICHLORIDE; ORGANOTIN COMPOUND; PROTON TRANSPORTING ADENOSINE TRIPHOSPHATE SYNTHASE; TRIPHENYLTIN ACETATE; TRIPHENYLTIN CHLORIDE; TRIPHENYLTIN HYDROXIDE; UNCLASSIFIED DRUG;

ARTICLE; DENSITY FUNCTIONAL THEORY; ELECTROSPRAY MASS SPECTROMETRY; ENZYME INHIBITION; ENZYME MECHANISM; MOLECULAR DYNAMICS; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTUM CHEMISTRY;

EID: 77957307763     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.2010.10507355     Document Type: Article

References (37)

1. Hoch, M., 2001. Appi Geochem, 16:719–743.
2. Davies, A. G., 2004. Organotin Chemistry 1–2. Wiley VCH.
3. Pellerito, C., Nagy, L., Pellerito, L., and Szorcsik, A., 2006. J Organomet Chem, 691:1733–1747.
4. Blunden, S. L., Cusack, P. A., and Hill, R., 1985. The Industrial Uses of Tin Chemicals. 41London:The Royal Society of Chemistry, Burlington House.
5. Omae, I., 2006. Chemistry and fate of organotin antifouling biocides in the environment. Book:Handbook Environmetal Chemistry, 5:17–50. Part O
6. Blunden, SJ, and Evans, CJ. 1990. “ Organotin compounds ”. In The Handbook of Environmental Chemistry. Edited by:Hutzinger, O., Berlim:Springer-Verlag. v.3, part E 1–44
7. Chandrasekhar, V., Nagendran, S., and Baskar, V., 2002. Coord Chem Rev, 235:1–52.
8. Basul Baul, T. S., 2008. Appl Organometal Chem, 22:195–204.
9. von Ballmoos, C., Brunner, J., and Dimroth, P., 2004. PNAS, 101:11239–11244.
10. Aldridge, W. N., Street, B. W., and Noltes, J. G., 1981. Chem Biol Interact, 34:223–232.
11. May, L., Eng, G., Coddington, S. P., and Stockton, L. L., 1988. Hyperfine Interact, 42:909–912.
12. Pellerito, L., and Nagy, L., 2002. Coord Chem Rev, 224:111–150.
13. Siebenlist, K. R., and Taketa, F., 1986. Biochem J, 233:471–477.
14. Buck-Koehntop, B. A., Porcelli, F., Lewin, J. L., Cramer, C. J., and Veglia, G., 2006. J Organomet Chem, 691:1748–1755.
15. Frisch, M. J., Trucks, G. W., Schlegel, H. B., and et al. 2004. Gaussian 03. Revision D.01 Wallingford, CT:Gaussian, Inc.
16. da Cunha, E. F.F., de Alencastro, R. B., and Ramalho, T. C., 2004. J Theor Com Chem, 3:1–9.
17. Silva, R. R., Ramalho, T. C., Santos, J. M., and Figueroa-Villar, J. D., 2006. J Phys Chem A, 110:1031–1040.
18. Ramalho, T. C., and Taft, C. A., 2005. J Chem Phys, 123:0543191–0543197.
19. Gonzalez, C., and Schlegel, C. B., 1989. J Chem Phys, 90:2154–2159.
20. Thomsen, R., and Christensen, M. H., 2006. J Med Chem, 49:3315–3321.
21. Josa, D., da Cunha, E. F.F., Ramalho, T. C., Souza, T. C. S., and Caetano, M. S., 2008. J Biomol Struct Dyn, 25:373–376.
22. da Cunha, E. F.F., Ramalho, T. C., and Reynolds, R., 2008. J Biomol Struct Dyn, 25:377–386.
23. Ramalho, T. C., Caetano, M. S., da Cunha, E. F.F., Souza, T. C. S., and Rocha, M. V. J., 2009. J Biomol Struct Dyn, 27:195–208.
24. Kuntz, I. D., Blaney, J. M., Oatley, S. J., Langridge, R., and Ferrin, T. E., 1982. J Mol Biol, 161:269–275.
25. Meier, T., Polzer, P., Diederichs, K., Welte, W., and Dimroth, P., 2005. Science, 308:659–662.
26. Ramalho, T. C., Oliveira, L. C. A., Carvalho, K. T. G., Souza, E. F., and da Cunha, E. F.F., 2009. Mol Phys, 107:171–179.
27. Oliveira, L. C. A., Ramalho, T. C., Goncalves, M., Cereda, F., Carvalho, K. T., Nazzarro, M. S., and Sapag, K., 2007. Chem Phys Lett, 446:133–137.
28. Wharf, I., Lamparski, H., and Reeleder, R., 1997. Appl Organomet Chem, 11:969–976.
29. Wharf, I., 2000. Appl Organomet Chem, 14:34–39.
30. Hadi, S., and Irawan, B., 2008. J Appl Sci Res, 4:1521–1525.
31. Powers, M. F., and Beavis, A. D., 1991. J Biol Chem, 266:17250–17256.
32. Rehman, W., Baloch, M. K., and Badshah, A., 2005. J Braz Chem Soc, 16:827–834.
33. Rehman, W., Baloch, M. K., and Badshah, A., 2008. Eur J Med Chem, 43:2380–2385.
34. Didziapetris, R., Reynolds, D. P., and Japertas, P., 2006. Cur Comp-Aided Drug Des, 2:1–19.
35. da Cunha, E. F.F., Ramalho, T. C., Taft, C. A., and de Alencastro, R. B., 2006. Lett Drug Des Discov, 3:17–28.
36. da Cunha, E. F.F., Sippl, W., Ramalho, T. C., Antunes, O. A. C., de Alencastro, R. B., and Albuquerque, M. G., 2009. Eur J Med Chem, 44:4344–4352.
37. da Cunha, E. F.F., Martins, R. C. A., and Albuquerque, M. G., 2004. J Mol Mod, 10:297–304.