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Development of New Agrochemicals by Quantitative Structure-Activity Relationship (QSAR) Methodology -IV. A Tendency of Research and Prospect in Korea-  

Sung, Nack-Do (Division of Applied Biology & Chemistry, College of Agticulture & Life Sciences, Chungnam National University)
Publication Information
Applied Biological Chemistry / v.46, no.3, 2003 , pp. 155-164 More about this Journal
Abstract
It was reviewed for the status of domestic research before and after 1990's for search of a new pesticides using 2D QSAR of quantitative structure-activity relationship (QSAR) methodologies (Sung, Nack-Do (2002) Development of new agrochemicals by quantitative structure-activity relationship (QSAR) methodology. Kor J. Pestic. Sci. 6, 166-174, 231-243 & 7, 1-11) which was proposed according to Hansch-Fujita equation based on the concept of biological Hammett equation.
Keywords
Quantitative structure-activity relationship (QSAR) methodology; domestic research status; Hansch-Fujita equation; biological Hammett equation;
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1 Sung, N. D. (2002) Development of new agrochemicals by quantitative structure-activity relationship (QSAR) methodology. I. The basic concepts and type of QSAR methodology. Kor. J. Pestic. Sci. 6, 166-174
2 Hansch, C. (1993) Quantitative structure-activity relationships and the unname science. Acc. Chem. Res. 6, 147-153
3 Sung, N. D. (1984) Linear free energy relationships on the phosphorylation of acetylcholinesterase by insecticidal 0,0 diethylphenylphosphate deiivatives. Res. Rep. Agri. Sci. Tech. Chungnam National University, 11, 176-181
4 Sung, N, D., Park, S. H., Myung, P. K,, Jeon, Y. K. and Lee, C. B. (1986) Molecular orbital theoretical study on the conformation and chemical reactivity of insecticidal 0,0-diethylphenylphosphate derivatives. Kor. J. Ptant. Prot. 24, 231-238
5 Nam, S. K. (1987) Studies on the insecticidal activity of pheny1-N-methy1carbamate derivatives. MS Thesis, Chungnam National University, Daejeon, Korea
6 Sung, N. D., Lim, C. H., Choi, W. Y., Ko, T. S. and Kwon, K. S. (1990) A synthesis and quantitative structure-activity relationships (QSAR) analysis of 1-(Phenoxy- methy1)benzotnazole derivatives as new fungicide. J. Kor. Agric. Chem. Soc. 33, 231-238
7 Sung, N. D., Lim, C. H. and Yi, K. J. (1995) Crystal structure and fungicidal activity of N-[1-(benzotnazol-1-y1)aryl]anilinedehvatives. J. Kor. Agric. Chem. Soc. 38, 359-363
8 Sung, N. D., Yu, S. J., Jeon, D. J. and Kim, D. H. (1995) Herbicidal activity of phenylvinylsulfone denvatives. Agric. Chem. Biotechnol. 38, 90-94
9 Sung, N. D., Jeong, K. C., Jeon, D. J. and Kim, D. H. (1995) Influence of N-substituted amino group on the insecticidal activity of 2-(n-octyl)-3-(n-propyl)isothio urea derivatives. Aeric. Chem. Biotechnol. 38, 163-167
10 Sung, N. D., Lee, G. J., Kim, Y. J. and Kim, D. W. (1996) Smile rearrangement of herbicidal Flazasulfuron. Agric. Chem. BiotechnoI. 39, 70-76
11 Sung, N. D., Yu, S. J. and Kang M. S. (1997) Kinetics and mechanism of hydrolysis of insecticidal imidaclopnd. Agric. Chem. BiotechnoI. 40, 53-57
12 Myung, P. K., Choi, S. R. and Sung, N. D. (2000) Parameter focusing on the topoisomerase I inhibition activities of 1-(2-fury1)-3-phenylpropenone derivatives. Yakhak Hoeji 44, 358-36
13 Sung, N. D. and Seong, M. K. (1999) Phenyl substituent effect on the fungicidal activity of N-phenyl-0-phenylthionocarbamate derivatives. Kor. J. Pesti. Sci. 3, 29-36
14 Sung, N. D., Lim, C. H., Yun, K. S., Song, J. H. and Kim, H. R. (2000) Structure-activity relationships on the herbicidal activity of the alkylthio substituents in N-(2-fluoro-4-chloro-5-alkyloxyphenyl)-3,4-dimethyl-2-arylthio-5-oxo-2,5-dihydropyrrole derivatives. Kor. J. Pesti. Sci. 4, 32-36
15 Sung, N. D., Song, J. H. and Kim, K. M. (2000) Structure-activity relationships on the herbicidal activity of the 2,3-dihydro-2-ethyl-2,2,4,6,7-pentamethylbenzofuran-5-y1 substituents in 5-benzofuryl-2-[1-(alkoxyimino)alkyl]-3-hydroxycyclohex-2-en-l-one derivatives. Kor. J. Pesti. Sci. 4, 47-51
16 APD (Agrochemical products database, Ver. 8.0), (2001) Wood Mackenzie Co
17 Sung, N. D., Chun, Y. G., Kwon, B. M., Park, H. Y. and Kim, C. K. (2003) Modeling of inhibition mechanism of natural to farnesyl protein transferase (FPTase) using molecular docking. BuIl, Kor. Chem. Soc. 24, In press
18 GalloP, M. A., Barrett, R. W., Dow, W., Fodor, S. P. A. and Gorden, E. M. (1994) Applications of combinatorial technologies to drug discovery. 1. Back ground and peptide combinatorial libraries. J. Med. Chem. 37. 1233-1251   DOI   ScienceOn
19 Yates, K. (1978) In Hukel Molecular Orbital Theory, Academic Press, New York
20 Sung, N. D., Park, C. K., Kwon, K. S. and Kim, T. R. (1993) Synthesis and hydrolysis mechanism of N-[1-(benzotriazol-1-y1)benzyl]aniline derivatives. J. Kor. Chem. Soc. 37, 1060-1067
21 Sung, N, D., Park, H. J., Park, S. H. and Pyon, J. Y. (1991) Herbicidal activity and molecular design of benzotnazole dehvatives. J. Kor. Agric. Chem. Soc. 34, 287-294
22 Hansh, C. and A. Leo (1995) In Exploring QSAR: Fundamentals and applications in chemistry and biology, ACS Professional Reference Book, American Chemical Society, Washington, DC. USA
23 Park, S. H., Nam, S. G. and Sung, N. D. (1995) Insecticidal activation mechanism of m-methylphenyl-N-methylcarbamate derivatives. J. Agri. Sci. Chungnam National University. 22, 127-133
24 Sung, N. D., Yu, S. J., Seong, M. K. and Kim, D. H. (1997) Substitution effect on the fungicidal activity of new N-substituted benzotriazol-1-yl derivatives. J. Kor. Agric. Chem. Soc. 40, 80-84
25 Judson, P. N. (1992) QSAR and expert systems in the prediction of biological activity. Pestic. Sci. 36, 155-160   DOI   ScienceOn
26 Sung, N. D., Kwon, K. S. and Kim, T. R. (1989) The kinetics and mechanism of hydrolysis of styrylphenylsulfone derivatives. J. Kor. Chem. Soc. 33, 120-126
27 Sung, N. D., Kang, M. S., Jang H. S. and Kim, D. H. (1996) Influence of 3-N-substituents(R) on the insecticidal activities of imidaclopnd and its analogues. Agric. Chem. BiotechnoI. 39, 140-146
28 Sung, N. D., Yu, S. J., Choi, K. S. and Kim, H. J.. (1998) Influence of substituted phenyl backbone on the fungicidal activity of phenyl and 2-pyiidyl substituents in bis-aromatic $\alpha$,$\beta$-unsaturated ketone derivatives. Kor. J. Pestic. Sci. 2, 45-51
29 Wexler, R. R., Greenlee, W. J., Irvin, J. D., Goldberg, M. R., Prendergast, K., Smith, R. D. and Timmermans, T. B. (1996) Nonpeptide angiotensin II receptor antagonists: The next generation in antihypertensive therapy. J. Med. Chem. 39, 625-656   DOI   ScienceOn
30 Sung, N. D., Yu, S. J., Kim, T. Y. and Ok, W. S. (1998) Influence of substituted phenyl backbone on the fungicidal activity of 2-thienyl and 2-furyl substituents in bis-aromatic $\alpha$,$\beta$-unsaturated ketone derivatives. Kor. J. Pestic. Sci. 2, 22-28
31 Sung, N. D., Lee, S. H., Ko, Y. K., Lee, K. M., Kim, D. H. and Kim, T. J. (2000) Structure-activity relationships on 'theherbicidal activity by the N-phenyl substituents of 2-(4-(6chloro-2-benzoxazolyloxy)Phenoxy)-N-phenylpropionamide derivatives in down land. Kor. J. Pesti. Sci. 4, 21-28
32 Sung, N. D. (1989) Why does m-methyl substituted pesticides show higher insecticidal activity? On the phenyl N-methylcarbamate and m-xylyl-methyl carbamate derivatives. J. Kor. Agric. Chem. Soc. 32, 170-177
33 Sung, N. D., Yu, S. J., Nam, K. D, Chang, K. H. and Han, H. K. (1995) Influence of substituted phenylcarbamoyl group on the fungicidal activides of a new 5,6-dihydro-2-trifluoromethyl-1,4-oxathiincarboxanilide derivatives. Kor. J. Pesti. Sci. 2, 64-69
34 Sung, N. D., Lee, S. H., Chang, H. S., Kim, D. H. and Kim, J. S. (1999) Structure-activity relationships on the selective herbicidal activity between rice plant and barnyard grass by the N-phenyl substituents in 2-(4-(6-chloro-2-benzoxazolyl-oxy) phenoxy)-N-phenylpropionamide deiivatives. Kor. J. Pesti. Sci. 3, 11-19
35 Sung, N. D., Yu, S. J., Lee, S. H. and Ko, Y. K. (1996) Conformation and reactivity of herbicidal benzenesulfonyl urea compounds. Agric. Chem. Biotechnol. 39, 235-240
36 Hansch, C. and Fujita, T. (1995) In Status of QSAR at the End of the Twentieth Century: Classical and Three-Dimensional QSAR in Agrochemistry. Corwin, H. and T. Fujita (eds.), Ch. 1 & 2, ACS Symposium Series 606, American Chemical Society, Washington, DC.
37 Sung, N, D., Kim, K. H., Choi, W. Y. and Kim, H. K. (1992) Antifungal activity of N-[1-(benzotriazol-1-y1)aryl]arylamine denvatives and quantitative structure-activity reladonships (QSAR). J. Kor. Agric. Chem. Soc. 35, 14-22
38 angel, P. and Giovannetti, J. (2001) In Genomics and Databases on the Internet: A Practical Guid to Functions and Applications. University of California, Berkly, CA, USA
39 Kim, S. Y., Sung, N. D., Choi, J. K. and Kim. S. S. (1999) IH-Benzotriazol-l-yl methanesulfonate: A regioselective N-mesylating ragent. Tetrah. Lett. 40, 117-120   DOI   ScienceOn
40 Sung, N. D., Yu, S. J., Lim, C. H., Nam, K. D. and Han, H. K. (1995) Influence of 2-phenylimino group on the fungicidal activities of iminothiazole carboxanilide derivatives. Kor. J. Pesti. Sci. 1, 7-12
41 Sung, N. D., Lee, S. H., Ryu, J. W., Woo, J. C., Koo, D. H. and Kim, D. H. (2000) N-phenyl substituent effect on the herbicidal activity of 2-(4-(6-chloro-2-benzoxazolyloxy) Phenoxy)-N-phenylpropionamide derivatives against rice plant with pre- and post-emergence. J. Kor. Sci. Agric. Chem. 1, 52-56
42 Gozzo, F., Masoero, M., Quadrelli, L. and Zagni, A. (1980) A novel series of 0,0-diethyl-0-(1,3-disubstituted-1,2,4-triazol-5-y1)Phosphorothioates. Part II. Quantitative structure-activity relationships. Pestic. Sci, 11, 314-323   DOI   ScienceOn
43 Sung, N. D. (2003) Development of new agrochemicals byquantitative structure-activity relationshiP (QSAR) methodology. III. 3D QSAR methodologies and computer-assisted molecular design (CAMD). Kor. J. Pestic. Sci. 7, 1-1
44 CMC (1996) Compulational Medicinal Chemistry: Modeting guide, computer aided molecular design, QSAR. Faculty of Pharmacy, Utrecht University, www.cmc. pharma.un.nl, Netherland
45 Waterbeemd, H. V. D. (1992) The history of drug research: From Hansch to the present, Quant. Struct. Act. Retat. 11, 200-204   DOI
46 Sung, N. D., Song, J. H. and Kim, H. R. (2002) Influence of N-alkoxy groups on the activities of photodynamic herbicidal 6-benzofuran-2-[1-alkoxyimino)alkyl]-3-hydroxycyclohex-2-en-1-one derivatives. Kor. J. Pesti. Sci. 6, 58-63
47 Nishioka, T, Fujita, T., Kamoshita, K. and Nakajima, M. (1977) Mechanism of inhibtion of acetylcholinesterase by phenyl N-methylcarbamates. Pesti. Biochem. Physiot. 1, 107-121
48 Lim, Y., Oh, M., Koh, D., Park K, Lee, S. and Lee, H. (1998) Development of LTD4 antagonsits (using)g, QSUR. Agric. Chem.Biotechnol. 41, 477-482
49 Eto, M. (1974) In Organophosphorus Pesticide, Organic and Biotogicat Chemistry, Ch. 4., CRC Press, Cleveland, Ohio, USA, P. 167
50 Sung, N. D., Ryu, T. S., Chang, H. S. and Kim, D. W. (1993) Influence of 3-(N-methyl-N-X-(sub.)-phenylaminooxaacetyl) group on the herbicidal activity of Imazapyr derivatives. J. Kor. Aeric. Chem. Soc. 37, 5161-521
51 Chapman, N. B. and Shorter, J. (1978) In Correlation Analysis in Chemistry: Recent Advances, Plenum Press, New York and London
52 March, J. (1985) In Advanced Oreanic Chemistry, Reactions, Mechanism, and Structure, (3rd ed.), John Wiley & Sons, New York. pp. 64-66
53 Sung, N. D. (2002) Development of new agrochemicals by quantitative structure-activity relationship (QSAR) methodology. II. The linear free energy relationshiP (LFER) and descriptors, Kor. J. Pestic. Sci. 6, 231-243
54 Sung, N. D., Kwon, B. M., Lim, C. H. and Cho, Y. K. (1998) Inhibition of famesyl protein transferase by ontio-substituted cinnamaldehyde derivatives. Agric. Chem. BiotechmI. 41, 218-221
55 Sung, N. D., Yu, S. J., Myung, P. K. Kwon, B. M. and Lee, S. H. (1999) The famesyl transferase inhibition activity of chalcone derivatives. J. Kor. Soc. Aaric. Chem. Biotechnol. 42, 252-255
56 Sung, N. D., Song, J. H. and Kim, K. M. (2000) Structure-activity relationships on the herbicidal activity of the 2,3-dihydro-2-ethyl-2,4,6,7-tetramethylbenzofuran-5-y1 substituents in 5-benzofuryl-2-[1-(alkoxyimino)alkyl]-3-hydroxycyclohex-2-en-1-one derivatives. Kor. J. Pesti. Sci. 4 34-39
57 Johnson, C. D. (1980) The Hammett Equation. Cambridge University Press, Cambridge, U.K.
58 Sung, N. D., Yu, S. J., Kwon, B. M. Lee, C. 0. and Choi, S. U. (1999) The cytotoxicity of 1,3-diphenylpropenone derivatives. J. Kor. Soc. Agric. Chem. Biotechnol. 42, 68-72
59 Sung, N. D., Yu, S. J., Myung, P. K. and Kwon, B. M. (2000) Quantitative structure-activity relationship (QSAR) analysis on the farnesyl protein transferase inhibition activity of hetero ring substituted chalcone derivatives by the Hansch and Free-Wilson methods. J. Kor. Soc. Agric. Chem. Biotechnol. 43, 95-99
60 Sung, N. D. (2002) Kinetics and mechanism of insecticide 0,0-diethyl-0-(1-phenyl-3-trifluoromethylpyrazol-5-y1) Phosphorothioate (Flupyrazofos). Kor. J. Pesti. Sci. 6, 218-223
61 Sung, N. D., Myung, P. K., Yoo, B. T. and Lee, C. B. (1986) The quantum pharmacological study on the phosphoryladon of acetylcholinesterase with insecticidal 0,O-diethylphenylphosphate derivatives. J. Pharm. Sci. (C.N.U.). 2, 7-15
62 Tute, M. S. (1990) In History and Objectives of Quantitative Drug Design, Comprehensive Medicinal Chemistry; The rational Design, Mechanistic Study & Therapeutic Apptications of Chemicat Compounds Corwin, C., Sammes, P. G. and Taylor, J. B. (eds.), Pergamon Press, Toronto, pp. 1-27
63 Well, P. R. (1963) Linear free energy relationships. Chem. Rev. 63, 171-219   DOI
64 KACIA: Korea Agrochemical Industry Association. http://www.kacia.or.kr
65 Kim, Y. W. (1997) Structure-activity relationships of fungicidal U-substituted phenyl-1,3,5-trimethylpyrazole-4-carboxamides in the inhibition of succinate dehydrogenase(SDH) isolated from Rhizoctonia solani Kuehn. Agric. Chem. BtotechnoI. 40, 447-450
66 Sung, N. D., Lee, S. H. and Ko, Y. K. and Kim, D. H. (1996) Influence of 4,6-disubsdtuted heterocyclic group on the herbicidal activity of N-(4,6-disubstituted pyhmidine-2-yl) aminocarbony1-2-(1,1-ethylenedioxy-2-fluoro) ethylbenzenesulfonamide dehvatives. Agric. Chem. Biotechnol. 39, 297-303
67 Kwon, B. M., Lee, S. H., Choi, S. U., Park, S. H., Lee, C. O., Cho, Y. K., Sung, N. D. and Bok, S. H. (1998) Synthesis and in vitro cytotoxicity of cinnamaldehydes to human solid tumor cells. Arch. Pharm. Res. 21, 147-152   DOI
68 Kim, Y., Yang, H., Park, K., Koh, D. and Vm, Y. (2002) Qsar studies of inhibitors of Ot-glucosidase,, for, .diabetes treatment. Agric. Chem. Biotechnot. 45, 141-146
69 Sung, N. D., Kim, H. J., Chang, H. S. and Kim, D. W. (1993) Influence of 3-(N-methyl-N-X-(sub.)-phenylaminooxaacetyl) group on the herbicidal activity of imazethapyr derivatives. J. Kor. Agric. Chem. Soc. 36, 381-386
70 Park, K., Koh, D., Lee, H., Jung, J., Cho, S. K. and Lim, Y.(2002) Quantitative structure-activity. relationships to develop anti-asthmatic drug. Agric. Chem. BiotechnoI. 43, 277-280
71 Sung, N. D. (2000) In Collected Works. Reaction Kinetics and Mechanism: Exptoring QSARs. OB Planning Co. pp. 305-640
72 Sung, N. D., Yu, S. J., Jeon, D. J., Kim, D. H. and Cho, K. Y. (1995) Influence of 1-substituted imino group on the insecticidal activity of 1-sub.-2-(n-octyl)-3,3-diisopropylpseudothiourea derivatives. Kor. J. Pesti. Sci. 1, 1-6
73 Sung, N. D., Yu, S. J., Jeon, D. J. and Kim, D. H. (1995) Herbicidal activity and persistency in aqueous solution of ortho disubstituted benzene sulfonyl urea derivatives. Agric. Chem. Biotechml. 38, 570-576
74 Sung, N. D., Song, J. H. and Jeon, D. J (2001) Structure and herbicidal activity relationships of the 2,3-dihydro-2-ethyl-2,3,4,6,7-pentamethylbenzofuran-5-y1 substituents in 5-benzofuryl-2-[1-(alkoxyimino)alkyl]-3-hydroxycyclohex-2-en-1 ones. Kor. J. Pesti. Sci. 5, 12-17
75 Pedretti, A., Villa, L. and Vistoli, G. (2002) Modeling of binding modes and inhibition mechanism of some naturalligands of farnesyl transferase using molecular docking. J. Med. Chem. 45, 1460-1465   DOI   ScienceOn