کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5860343 1133180 2014 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Molecular docking revealed potential disruptors of glucocorticoid receptor-dependent reporter gene expression
ترجمه فارسی عنوان
تکثیر مولکولی، اختلالهای بالقوه بیان ژن خبرنگار وابسته به گیرنده گلوکوکورتیکوئیدی را نشان داد
موضوعات مرتبط
علوم زیستی و بیوفناوری علوم محیط زیست بهداشت، سم شناسی و جهش زایی
چکیده انگلیسی


- Molecular docking protocol with very high general strength of the prediction.
- Nine new glucocorticoid modulators belonging to six structurally diverse classes.
- Six with glucocorticoid-like activity.
- Three with anti-glucocorticoid-like activity: Antioxidant 425, bisphenol P and M.

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 the identification of chemicals that can modulate activity of the glucocorticoid receptor (GR) is crucial. In this study, molecular docking was utilized to find new agonists and antagonists of the GR. The best hits were further tested on the in vitro model of MDA-kb2 cells expressing luciferase activity in a GR-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 isophthalate, 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 GR modulators, only bisphenol M displayed appreciable binding affinity for the receptor.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Toxicology Letters - Volume 226, Issue 2, 21 April 2014, Pages 132-139
نویسندگان
, , , ,