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Article

Three-Dimensional Common-Feature Hypotheses for Octopamine Agonist 1-Arylimidazolidine-2-Thiones

1
Department of Applied Genetics and Pest Management, Faculty of Agriculture, Graduate School, Kyushu University, 6-10-1 Hakozaki, Fukuoka 812-8581, Japan
2
Graduate School of Bioresource and Bioenvironmental Sciences, Kyushu University, 6-10-1 Hakozaki, Fukuoka 812-8581, Japan
3
School of Agriculture, Kyushu Tokai University, Kumamoto 869-1404, Japan
4
Kyushu Women’s University, 1-1 Jiyugaoka, Yahatanishi-ku, Kita-Kyushu, Fukuoka 807-8586, Japan
*
Author to whom correspondence should be addressed.
Int. J. Mol. Sci. 2002, 3(2), 56-68; https://0-doi-org.brum.beds.ac.uk/10.3390/i3020056
Received: 4 October 2001 / Accepted: 22 January 2002 / Published: 28 February 2002
Three-dimensional pharmacophore hypotheses were built from a set of 10 octopamine (OA) agonist 1-arylimidazole-2(3H)-thiones (AIHTs) and 1-arylimidazolidine-2-thiones (AITs). Among the ten common-featured models generated by program Catalyst/HipHop, a hypothesis including a hydrophobic aromatic (HpAr), three hydrophobic aliphatic (HpAl) and a hydrogen-bond acceptor lipid (HBAl) features was considered to be important in evaluating the OA-agonist activity. Active OA agonist 2,6-Et2 AIT mapped well onto all the HpAr, HpAl and HBAl features of the hypothesis. On the other hand, inactive compound 2,6-Et2 AIHT was shown to be difficult to achieve the energetically favorable conformation which is found in the active molecules in order to fit the 3D common-feature pharmacophore models. The present studies on OA agonists demonstrate that an HpAr, three HpAls and an HBAl sites located on the molecule seem to be essential for OA-agonist activity. View Full-Text
Keywords: Octopamine agonist; Common-feature hypothesis; Periplaneta americana; Pharmacophore; HipHop Octopamine agonist; Common-feature hypothesis; Periplaneta americana; Pharmacophore; HipHop
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MDPI and ACS Style

Hirashima, A.; Morimoto, M.; Ohta, H.; Kuwano, E.; Taniguchi, E.; Eto, M. Three-Dimensional Common-Feature Hypotheses for Octopamine Agonist 1-Arylimidazolidine-2-Thiones. Int. J. Mol. Sci. 2002, 3, 56-68. https://0-doi-org.brum.beds.ac.uk/10.3390/i3020056

AMA Style

Hirashima A, Morimoto M, Ohta H, Kuwano E, Taniguchi E, Eto M. Three-Dimensional Common-Feature Hypotheses for Octopamine Agonist 1-Arylimidazolidine-2-Thiones. International Journal of Molecular Sciences. 2002; 3(2):56-68. https://0-doi-org.brum.beds.ac.uk/10.3390/i3020056

Chicago/Turabian Style

Hirashima, Akinori, Masako Morimoto, Hiroto Ohta, Eiichi Kuwano, Eiji Taniguchi, and Morifusa Eto. 2002. "Three-Dimensional Common-Feature Hypotheses for Octopamine Agonist 1-Arylimidazolidine-2-Thiones" International Journal of Molecular Sciences 3, no. 2: 56-68. https://0-doi-org.brum.beds.ac.uk/10.3390/i3020056

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