Glucocorticoids are an essential part of the endocrine system that is responsible for a variety of functions such as regulation of immune activity, appropriate brain function and fetal development. ...Disturbance of glucocorticoid signaling can lead to various cardiovascular, inflammatory and autoimmune diseases, so identification of chemicals that can modulate activity of the glucocorticoid receptor is crucial. In this study, molecular docking was utilized to find new agonists and antagonists of the glucocorticoid receptor. The best hits were further tested on the in vitro model of MDA-kb2 cells expressing luciferase activity in a glucocorticoid receptor-dependent manner. Nine new potential modulators of the receptor, belonging to six structurally diverse classes were identified. Six of them: tetramethrin and cypermethrin, diethyl hexyl phthalate and diphenyl isopthalate, naphthol AS-OL and dicumyl peroxide, induced luciferase activity;while the other three, bisphenol P, bisphenol M and Antioxidant 425, suppressed luciferase activity. Of the nine potential glucocorticoid receptor modulators, only bisphenol M displayed appreciable binding affinity for the receptor.
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