ADMET profiles of selected anabolic steroid derivatives

There is control over steroids use and marketing, but also new compounds that mimic their effects, steroid derivatives, are being synthesized. They are frequently produced as dietary supplements intended to improve physical activity, and usually no information is provided regarding their composition, dosages, and efficacy or safety. In this study, a computational approach was used to evaluate the absorption, distribution, metabolism, excretion and toxicity (ADMET) profiles of several steroid derivatives: methasterone, methyl -1 -testosterone, 4-hydroxytestosterone, methyldienolone, methyltrienolone and 19-nor-5-androstenedione. The following computational prediction tools were applied: admetSAR2.0, ADMETLab2.0, Endocrine Disruptome, PredSkin3.0. All investigated compounds showed good human intestinal absorption, are not able to penetrate the blood -brain barrier and inhibit cytochrome P450 enzymes involved in the metabolism of xenobiotics. These compounds have potential for skin sensitisation, induce reproductive toxicity and endocrine disruption, and have a low potential for hepatotoxicity and respiratory toxicity. It is important that the results of the study are known by those exposed at workplaces where these compounds are produced and packed as well as by consumers. These predictions can also guide the experimental evaluation of the possible toxicity of the investigated compounds, the results of which can be further used for purposes of regulating the use of these steroid derivatives.