Browse > Article
http://dx.doi.org/10.5012/bkcs.2012.33.5.1703

Study of Thiazoline Derivatives for the Design of Optimal Fungicidal Compounds Using Multiple Linear Regression (MLR)  

Han, Won-Seok (Molecular Recognition Research Center, Korea Institute of Science and Technology)
Lee, Jin-Kak (Molecular Recognition Research Center, Korea Institute of Science and Technology)
Lee, Jun-Seok (Molecular Recognition Research Center, Korea Institute of Science and Technology)
Hahn, Hoh-Gyu (Chemical Kinomics Research Center, Korea Institute of Science and Technology)
Yoon, Chang-No (Molecular Recognition Research Center, Korea Institute of Science and Technology)
Publication Information
Abstract
Rice blast is the most serious disease of rice due to its harmfulness and its world wide distribution. $Magnaporthe$ $grisea$ is the cause of rice blast disease and destroys rice enough to feed several tens of millions of people each year. Fungicides are commonly used to control rice blast. But $M.$ $grisea$ acquires resistance to chemical treatments by genetic mutations. 2-Phenylimino-1,3-thiazolines were proposed as a novel class of fungicides against $M.$ $grisea$ in the previous study. To develop compounds with a higher biological activity, a new series of 2-phenylimino-1,3-thiazolines was synthesized and its fungicidal activity was determined against $M.$ $grisea$. The QSAR analysis was carried out on a series of 2-phenylimino-1,3-thiazolines. The QSAR results showed the dependence of fungicidal activity on the structural and physicochemical features of 2-phenylimino-1,3-thiazolines. Our results could be used as guidelines for the study of the mode of action and further design of optimal fungicides.
Keywords
Thiazoline derivatives; $Magnaporthegrisea$; QSAR; Multiple linear regression;
Citations & Related Records
연도 인용수 순위
  • Reference
1 Hahn, H. G.; Nam, K. D.; Choi, G. J.; Cho, K. Y. J. Korean Soc. Agri. Chem. Biotechnol. 1997, 40, 139.
2 Hahn, H. G.; Nam, K. D.; Choi, G. J.; Cho, K. Y. J. Korean Soc. Agri. Chem. Biotechnol. 1998, 41, 471.
3 Song, J. S.; Moon, T.; Nam, K. D.; Lee, J. K.; Hahn, H. G.; Choi, E. J.; Yoon, C. N. Bioorg. Med. Chem. Lett. 2008, 18, 2133.   DOI   ScienceOn
4 Nakagawa, Y.; Izumi, K.; Oikawa, N.; Kurozumi, A.; Iwamura, H.; Fujita, T. Pestic. Biochem. Physiol. 1991, 40, 12.   DOI
5 Nakagawa, Y.; Smagghe, G.; Kugimiya, S.; Hattori, K.; Ueno, T.; Tirry, L.; Fujita, T. Pestic. Sci. 1999, 55, 909.   DOI   ScienceOn
6 Bae, S.; Hahn, H. G.; Nam, K. D. J. Comb. Chem. 2005, 7, 826.   DOI   ScienceOn
7 Finney, D. J. Probit Analysis; Cambridge University Press: Cambridge, England, 1952.
8 Song, Y. S.; Sung, N. D.; Yu, Y. M.; Kim, B. T. Bull. Korean Chem. Soc. 2004, 25, 1513.   DOI
9 Daylight Chemical Information Systems, Inc. www.daylight.com.
10 Hansch, C.; Leo, A.; Taft, R. W. Chem. Rev. 1991, 91, 165.   DOI
11 Moon, T.; Chi, M. H.; Kim, D. H.; Yoon, C. N.; Choi, Y. S. Quant. Struct-Act. Relat. 2000, 19, 257.   DOI   ScienceOn
12 Golbraikh, A.; Tropsha, A. J. Mol. Graph. Model 2002, 20, 269.   DOI   ScienceOn
13 Kato, H. Pestic Outlook 2001, 12, 23.   DOI   ScienceOn
14 Skamnioti, P.; Gurr, S. J. Trends in Biotechnol. 2009, 27, 141.   DOI   ScienceOn