New Structure Descriptor in the Structure-Activity Relationship Study on the Suppression of Aryl Hydrocarbon Receptor Transformation by Anthraquinones

Abstract

A new descriptor showing the positions of functional groups in compounds with the same main backbone was developed. This descriptor was applied to the Quantitative Structure-Activity Relationship (QSAR) study on the suppression activities of anthraquinones via transformation of the aryl hydrogen receptor by 2,3,7,8-tetrachlorodibenzo-p-dioxin. It was shown that the newly developed descriptor played an important role in the QSAR study.