Quantitative Structure-Activity Relationship Analysis of Phencyclidine Derivatives. I

概要

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Quantitative structure-activity relationship analysis has been acoomplished on 24 derivatives of phencyclidine (PCP). By analysis with conceivable parameters effecting the variation of activity, it was shown that a compound with a smaller dipole moment, larger hydrophobicity, and a smaller principal moment of inertia is a stronger ligand of the receptor.By furthe examination of this fact, the direction of the dipole vector of the ligand molecule was demonstrated to be important for the activity. Consequently, an equation, which sufficiently explains the variation of the activity, was derived using the difference in direction of the dipole vector as the only parameter. This is the first quantitative analysis explanning the variation of activity of PCP derivatives.
公益社団法人日本薬学会の論文
1991-06-25