title: Octopaminergic agonists for the cockroach neuronal octopamine receptor.
abstract: The compounds 1-(2,6-diethylphenyl)imidazolidine-2-thione and 2-(2,6-diethylphenyl)imidazolidine showed the almost same activity as octopamine in stimulating adenylate cyclase of cockroach thoracic nervous system among 70 octopamine agonists, suggesting that only these compounds are full octopamine agonists and other compounds are partial octopamine agonists. The quantitative structure-activity relationship of a set of 22 octopamine agonists against receptor 2 in cockroach nervous tissue, was analyzed using receptor surface modeling. Three-dimensional energetics descriptors were calculated from receptor surface model/ligand interaction and these three-dimensional descriptors were used in quantitative structure-activity relationship analysis. A receptor surface model was generated using some subset of the most active structures and the results provided useful information in the characterization and differentiation of octopaminergic receptor.
authors.affiliation: Department of Applied Genetics and Pest Management, Faculty of Agriculture, Graduate School, Kyushu University, Fukuoka 812-8581, Japan. ahirasim@agr.kyushu-u.ac.jp
authors.forename: Akinori
authors.initials: A
authors.lastname: Hirashima
authors.forename: Masako
authors.initials: M
authors.lastname: Morimoto
authors.forename: Eiichi
authors.initials: E
authors.lastname: Kuwano
authors.forename: Morifusa
authors.initials: M
authors.lastname: Eto
mesh_terms: D000262:Adenylyl Cyclases / Q000378:metabolism; D000818:Animals; D003058:Cockroaches / Q000187:drug effects* / Q000378:metabolism*; D005031:Ethylenethiourea / Q000031:analogs & derivatives* / Q000737:chemistry; D005260:Female; D048289:Imidazolidines / Q000819:agonists* / Q000737:chemistry*; D008297:Male; D008958:Models, Molecular; D015394:Molecular Structure; D009474:Neurons / Q000378:metabolism*; D009655:Octopamine / Q000819:agonists* / Q000737:chemistry; D011485:Protein Binding; D021281:Quantitative Structure-Activity Relationship; D017982:Receptors, Biogenic Amine / Q000378:metabolism*
chemical_list: C514768:1-(2,6-diethylphenyl)imidazolidin-2-thione; C514769:1-(2,6-diethylphenyl)imidazolidine; D048289:Imidazolidines; D017982:Receptors, Biogenic Amine; C027604:norsynephrine receptor; D009655:Octopamine; D005031:Ethylenethiourea; D000262:Adenylyl Cyclases