Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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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)
  • Received : 2012.02.08
  • Accepted : 2012.02.23
  • Published : 2012.05.20
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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.

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