Three-dimensional molecular field analyses of octopaminergic agonists and antagonists for the locust neuronal octopamine receptor class 3.
The quantitative structure-activity relationship (QSAR) of a set of 70 octopaminergic agonists and 20 antagonists against octopamine receptor class 3 (OAR3) in locust nervous tissue was analyzed by molecular field analysis (MFA). MFA of these compounds evaluated effectively the energy between a probe and a molecular model at a series of points defined by a rectangular grid. Contour surfaces for the molecular fields are presented. These results provide useful information in the characterization and differentiation of octopaminergic receptor types and subtypes.
Hirashima
A
A
Division of Bioresource and Bioenvironmental Sciences, Graduate School, Kyushu University, Fukuoka, Japan. ahirasim@agr.kyushu-u.ac.jp
Nagata
T
T
Pan
C
C
Kuwano
E
E
Taniguchi
E
E
Eto
M
M
D000818:Animals; D003196:Computer Graphics; D006110:Grasshoppers; D016018:Least-Squares Analysis; D008958:Models, Molecular; D008968:Molecular Conformation; D009474:Neurons / Q000502:physiology*; D009655:Octopamine / Q000031:analogs & derivatives* / Q000737:chemistry* / Q000378:metabolism; D017982:Receptors, Biogenic Amine / Q000819:agonists / Q000037:antagonists & inhibitors / Q000737:chemistry*; D012044:Regression Analysis; D013329:Structure-Activity Relationship
D017982:Receptors, Biogenic Amine; C027604:norsynephrine receptor; D009655:Octopamine