Computational insights into the molecular interactions of environmental xenoestrogens 4-tert-octylphenol, 4-nonylphenol, bisphenol A (BPA), and BPA metabolite, 4-methyl-2, 4-bis (4-hydroxyphenyl) pent-1-ene (MBP) with human sex hormone-binding globulin
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- 作者：Ishfaq A. Sheikha ; 1 ; Iftikhar A. Tayubib ; 1 ; Ejaz Ahmada ; Majid A. Ganaiec ; Osama S. Bajouhd ; Samera F. AlBasrid ; Ibtihal M.J. Abdulkarimd ; Mohd A. Bega ; mabeg51@gmail.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：Endocrine disruption ; Octylphenol ; Bisphenol A ; Nonylphenol ; Docking ; Sex hormone-binding globulin
- 刊名：Ecotoxicology and Environmental Safety
- 出版年：2017
- 出版时间：January 2017
- 年：2017
- 卷：135
- 期：Complete
- 页码：284-291
- 全文大小：819 K
文摘
Xenoestrogens OP, BPA, NP, MBP showed high affinity for SHBG on docking simulation.
High overlap of SHBG residues among dihydrotestosterone and the four xenoestrogens.
Common H-bond with residue Asn-82 for dihydrotestosterone and four xenoestrogens.
NP and MBP were more potent xenoestrogens than OP and BPA.
The four xenoestrogens have potential to disrupt androgen-estrogen homoeostasis.