In Silico study using Toxtree (TT) Cramer decision tree scheme for different Isomers of Resmethrin -a Type-I Synthetic Pyrethroid
DOI:
https://doi.org/10.46243/jst.2022.v7.i08.pp01-08Keywords:
Pyrethroids, Resmethrin, Toxtree, Cramer decision tree, Threshold of Toxicological Concern (TTC)Abstract
Synthetic pyrethroids are widely used in household, public places and agriculture as insecticides but have harmful effect on human and the environment. The Cramer classification scheme (decision tree) is the best-known approach to estimate the Threshold of Toxicological Concern for a chemical substance based on its chemical structure. In present article we have used In silico tool Toxtree to get the Cramer class for isomers of Resmethrin. The stereochemical relationships and toxicologic and environmental effects are also discussed.
References
Casida J.E., Pyrethrum, the Natural Insecticide, Academic Press, New York-London (1973)
Elliott, M. (1989). The pyrethroids: early discovery, recent advances and the future. Pesticide Science, 27(4), 337-351
Elliott M., Janes N. F.,Chem Soc. Reviews 7,473 (1971)
La Forge F.B., Barthel W.F., J. Org Chem 12,199 (1947)
Hartley D, Kidd H, Agrochemicals Handbook, with updates; Nottingham, Royal Soc of Chemistry, 1983-86, A362 (1983)
M. Elliott et al., Nature 213, 493 (1967)
Soderlund, D. M. (2015). Resmethrin, the first modern pyrethroid insecticide. Pest management science, 71(6), 801-807
Idem, et al., Pestic. Sci. 2, 243 (1971)
Chadwick P. R et al., Control of cockroaches, J. Med. Entomol. 13, 625 (1977)
Soderlund, D. M. (2008). Pyrethroids, knockdown resistance and sodium channels. Pest Management Science: formerly Pesticide Science, 64(6), 610-616
T. B. Gaines, R. E. Linder, Fundam. Appl. Toxicol. 7, 299 (1986)
Review of toxicology and human exposure: Toxicological Profile for Pyrethrins and Pyrethroids (PB2004-100004, 2003) 332 pp
Pesticide Manual., 9(80), 1991
EHP, Environmental Health Perspectives., 14(15), 1976 [PMID:789062]
Pesticide Biochemistry and Physiology., 2(308), 1972
Pesticide Biochemistry and Physiology., 4(456), 1974
Pesticide Biochemistry and Physiology., 6(491), 1976
Aldridge,W.N.(1983). Toxicology of pyrethroids. In Mode of Action, Metabolism and Toxicology (pp.485-490).Pergamon
Gray, A. J., Connors, T. A., & Hoellinger, H. (1980). The relationship between the pharmacokinetics of intravenous cismethrin and bioresmethrin and their mammalian toxicity. Pesticide Biochemistry and Physiology, 13(3), 281-293
Wolansky, M. J., & Harrill, J. A. (2008). Neurobehavioral toxicology of pyrethroid insecticides in adult animals: a critical review. Neurotoxicology and teratology, 30(2), 55-78
White, I. N. H., Verschoyle, R. D., Moradian, M. H., & Barnes, J. M. (1976). The relationship between brain levels of cismethrin and bioresmethrin in female rats and neurotoxic effects. Pesticide Biochemistry and Physiology, 6(5), 491-500
Cramer G. M., R. A. Ford, R. L. Hall, Estimation of Toxic Hazard-A Decision Tree Approach, J. Cosmet. Toxicol., Vol.16, pp. 255-276, Pergamon Press, 1978 http://toxtree.sourceforge.net/cramer3.html
I.C. Munro, R.A. Ford, E. Kennepohl, and J.G. Sprenger, Correlation of structural class with No-Observed-Effect Levels: A proposal for establishing a threshold of concern, Food Chem. Toxicol. 34 (1996), pp. 829-867
Patlewicz G, Jeliazkova N, Safford RJ, Worth AP, Aleksiev B. (2008) A n evaluation of the implementation of the Cramer classification scheme in the Toxtree software. SAR QSAR Environ Res.;19(5-6):495-524
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