Structure activity relationship analysis of phenolic acid phenethyl esters on oral and human breast cancers: the grey GM(0, N) approach.

This paper presents grey structure activity relationship analysis for phenolic acid phenethyl esters from the bioactivity on oral cancer SAS, OEC-M1 and human breast cancer MCF-7. First of all, 14 compounds of phenolic acid phenethyl esters are synthesized, while the bioactivity (cytotoxicity) on the cancer cells SAS, OEC-M1, MCF-7 is tested. Next, the relationship weighting of functional groups of phenolic acid phenethyl esters is found by applying the grey GM(0, N) model on the measured data. Moreover, evident structure activity relationships are established to rule the biological effect of such compounds, e.g., the most important functional group affecting the cytotoxicity on the cancer cells is found. It is interesting that the analyzed result is consistent with the actual circumstance. In comparison with traditional methods, this paper using grey theory indicates more characteristic information about the structure activity relationships of phenolic acid phenethyl esters while using fewer data samples.