Sheikh, Ishfaq A.; Yasir, Muhammad; Abu-Elmagd, Muhammad; Dar, Tanveer A.; Abuzenadah, Adel M.; Damanhouri, Ghazi A.; Al-Qahtani, Mohammed; Beg, Mohd. A. published an article in 2016, the title of the article was Human sex hormone-binding globulin as a potential target of alternate plasticizers: an in silico study.Computed Properties of 3319-31-1 And the article contains the following content:
Current information regarding the safety and potential adverse effects of alternate plasticizers is limited and recent studies have found alternate plasticizers to display similar characteristics to those observed in phthalate plasticizers. This study was undertaken to evaluate and predict the potential endocrine disrupting activity of the three most commonly used alternate plasticizers: di(2-ethylhexyl)terephthalate (DEHT), tris(2-ethylhexyl) trimellitate (TOTM), and diisononyl hexahydrophthalate (DINCH) against human sex hormone-binding globulin (SHBG) using in silico approaches. Materials and methods: The crystal structure of human SHBG (Id: 1D2S) was retrieved from Protein Data Bank. Results: Induced Fit Docking of three alternate plasticizer compounds indicated that each of the three compounds fitted well into the steroid binding pocket of SHBG. Docking displays showed interactions of alternate plasticizers with 25-30 amino-acid residues of SHBG; 18-20 amino residues overlapped between the natural ligand, DHT, and the three compounds (commonality of 82-91 %). The hydrogen-bonding interaction of the amino-acid residue, Asn-82, of SHBG was also present in displays of DHT and all the three alternate phthalates. Conclusion: Our results suggested that the three alternate plasticizers have potential to engage the important interacting residues of SHBG and thus interfere in its steroid homeostatic function. The experimental process involved the reaction of Tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate(cas: 3319-31-1).Computed Properties of 3319-31-1
The Article related to sex hormone binding globulin mol docking plasticizer, deht, dinch, docking, endocrine disruption, sex hormone-binding globulin, totm, Placeholder for records without volume info and other aspects.Computed Properties of 3319-31-1
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