Quantitative structure–activity relationship (QSAR) analysis of cationic complexes of heart perfusion imaging agents and subsequent proposition of two different uptake mechanisms

Abstract

Some physicochemical and quantum-chemical discriptors of two series of cationic complexes of heart perfusion imaging agents ([99mTc1(NO)Cl(PL)2]+ and [99mTc-Mine]+ series) have been obtained using a semi-empirical quantum mechanics method — ZINDO/1. Quantitative structure–activity relationships (QSARs) between these descriptors and heart uptake were investigated by multiple linear regression analysis method, as the result of which, several equations were obtained. Fairly complete new heart uptake mechanisms, redox mechanism for [99mTc1(NO)Cl(PL)2]+ series and passively transport mechanism for [99mTc-Mine]+ series are proposed based on the results shown in the equations.