Three-Dimensional Structure-Activity Relationships of Synthetic Pyrethroids: 2. Three-Dimensional and Classical QSAR Studies
2000; Wiley; Volume: 19; Issue: 5 Linguagem: Inglês
10.1002/1521-3838(200012)19
ISSN1521-3838
AutoresHiroshi Chuman, Satoru Goto, Mami Karasawa, Mikio Sasaki, Umpei Nagashima, Keiichiro Nishimura, Toshio Fujita,
Tópico(s)Molecular spectroscopy and chirality
ResumoQuantitative Structure-Activity RelationshipsVolume 19, Issue 5 p. 455-466 Research Article Three-Dimensional Structure-Activity Relationships of Synthetic Pyrethroids: 2. Three-Dimensional and Classical QSAR Studies Hiroshi Chuman, Hiroshi ChumanSearch for more papers by this authorSatoru Goto, Satoru Goto Faculty of Pharmaceutical Sciences, The University of Tokushima, 1-78, Schomachi, Tokushima 770-8505, JapanSearch for more papers by this authorMami Karasawa, Mami Karasawa Kureha Chemical Industry Co. Ltd., 3-26-2, Hyakunin-cho, Shinjuku-ku, Tokyo 169-8503, JapanSearch for more papers by this authorMikio Sasaki, Mikio Sasaki Saila System Inc., 3-16-44, Higashi-Gotanda, Shinagawa-ku, Tokyo 141-0022, JapanSearch for more papers by this authorUmpei Nagashima, Umpei Nagashima Computational Science, National Institute for Advanced Interdisciplinary Research, 1-1-4, Higashi, Tsukuba, Ibaraki, 305-8562, JapanSearch for more papers by this authorKeiichiro Nishimura, Keiichiro Nishimura Osaka Prefecture University, 1-2, Gakuen-cho, Sakai, Osaka 593-8570, JapanSearch for more papers by this authorToshio Fujita, Toshio Fujita EMIL PROJECT, #305 Heights Kyogosho, Fuyacho-Nishikikoji-agaru, Nakagyo-ku, Kyoto 604-8057, JapanSearch for more papers by this author Hiroshi Chuman, Hiroshi ChumanSearch for more papers by this authorSatoru Goto, Satoru Goto Faculty of Pharmaceutical Sciences, The University of Tokushima, 1-78, Schomachi, Tokushima 770-8505, JapanSearch for more papers by this authorMami Karasawa, Mami Karasawa Kureha Chemical Industry Co. Ltd., 3-26-2, Hyakunin-cho, Shinjuku-ku, Tokyo 169-8503, JapanSearch for more papers by this authorMikio Sasaki, Mikio Sasaki Saila System Inc., 3-16-44, Higashi-Gotanda, Shinagawa-ku, Tokyo 141-0022, JapanSearch for more papers by this authorUmpei Nagashima, Umpei Nagashima Computational Science, National Institute for Advanced Interdisciplinary Research, 1-1-4, Higashi, Tsukuba, Ibaraki, 305-8562, JapanSearch for more papers by this authorKeiichiro Nishimura, Keiichiro Nishimura Osaka Prefecture University, 1-2, Gakuen-cho, Sakai, Osaka 593-8570, JapanSearch for more papers by this authorToshio Fujita, Toshio Fujita EMIL PROJECT, #305 Heights Kyogosho, Fuyacho-Nishikikoji-agaru, Nakagyo-ku, Kyoto 604-8057, JapanSearch for more papers by this author First published: 11 December 2000 https://doi.org/10.1002/1521-3838(200012)19:5 3.0.CO;2-BCitations: 6AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Abstract A novel 3D-QSAR procedure, the Voronoi Field Analysis, was applied to four series of synthetic pyrethroids individually and as combinations to understand the physicochemical meaning of the series differentiation of the classical QSAR pattern into two types. The 3D-QSAR correlation equation for each series was physicochemically nearly equivalent with the corresponding classical QSAR equation. The differentiation was not totally inconsistent with information about the degree of the 3D structural similarity among corresponding reference compounds from the four series. The comparison of the classical QSAR with the 3D counterpart gave invaluable suggestions about criteria of the 3D procedure. Citing Literature Volume19, Issue5December 2000Pages 455-466 RelatedInformation
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