Evaluation of the efficacy in cosmetic products safety: Comparison with biochemical substrates

Abstract

Chemicals used in cosmetics must interact with the enzymes for their consumption after entering our bodies. The area at which the interaction realizes on the enzyme is known as the active center. This center is three dimensional and optically active. Considering the properties of the active regions, it is believed that the determination of the geometric properties of the chemicals may contribute to the safety evaluation of the chemical products. Obtainment of toxicological data of chemicals is a long and difficult process. It is an impossible process as the animal experiments have been prohibited. Since there are large number of chemical compounds available, it is not possible to conduct toxicological evaluation on all of them. Therefore, it is important to estimate whether chemicals are toxic through using molecular formulas. In this study, the similarities and differences between the unwanted chemicals used in cosmetic products and the geometric structures of the chemicals used in metabolism were determined by using Group Theory. The aim of the study is to estimate whether the chemicals will be toxic by taking advantage of point-group determinations. Molecular formulae of chemicals prohibited in cosmetics and substrates used in biological systems were used as materials. The point groups of the molecules were determined using these formulas. ChemDraw Professional 17 CD chemical drawing program was used to draw the formula structures of the molecules. Campus Licensed version of the program provided by Ataturk University was utilized. An Excel X application which was developed to examine the molecules according to the Group Theory was also used.