Electron-conformational study for the structure-hallucinogenic activity relationships of phenylalkylamines.
The structure-hallucinogenic activity relationships of a series of phenylethylamine and phenylisopropylamine derivatives have been investigated in the frameworks of electron-conformational method. The calculated geometry and electronic structure parameters accompanying to each atom and bond of each molecule in view were arranged as a matrix called electron-conformational matrix of contiguity (ECMC). The features that are responsible for strong and weak activity demonstrations have been found as submatrices of ECMCs belonging to some template compounds. Two electron-conformational features present in nonhallucinogenic compounds have been revealed. A quantitative model has been improved for predicting hallucinogenic activity numerically. A test series was used to verify the results obtained.
Altun
Ahmet
A
Department of Physics, Fatih University, 34900, B. Cekmece, Istanbul, Turkey. aaltun@faith.edu.tr
Golcuk
Kurtulus
K
Kumru
Mustafa
M
Jalbout
Abraham F
AF
D004583:Electrons; D006213:Hallucinogens / Q000737:chemistry*; D008968:Molecular Conformation; D015394:Molecular Structure; D010627:Phenethylamines / Q000737:chemistry*; D011437:Propylamines / Q000737:chemistry; D013329:Structure-Activity Relationship
D006213:Hallucinogens; D010627:Phenethylamines; D011437:Propylamines