Structure-property relationship for description of apoptosis (programmed cell death) induction by phenol derivatives

Abstract

Structure-property relationship based on fragment descriptors of molecular structure was used to assess the ability of phenol derivatives to induce apoptosis in L1210 leukemia cells in mice. Simple models that provide quite accurate estimates for the apoptic activity of various phenol compounds were suggested. Such models allow one to clearly interpret the contributions of structural elements of phenol derivatives and to predict how their apoptic activity will vary with structural modification.