Molecular modelling of the human glucocorticoid receptor (hGR) ligand-binding domain (LBD) by homology with the human estrogen receptor alpha (hERalpha) LBD: quantitative structure-activity relationships within a series of CYP3A4 inducers where induc

Lewis DF; Ogg MS; Goldfarb PS; Gibson GG

首页> 外文期刊>The Journal of Steroid Biochemistry and Molecular Biology >Molecular modelling of the human glucocorticoid receptor (hGR) ligand-binding domain (LBD) by homology with the human estrogen receptor alpha (hERalpha) LBD: quantitative structure-activity relationships within a series of CYP3A4 inducers where induc

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Molecular modelling of the human glucocorticoid receptor (hGR) ligand-binding domain (LBD) by homology with the human estrogen receptor alpha (hERalpha) LBD: quantitative structure-activity relationships within a series of CYP3A4 inducers where induc

机译：通过与人雌激素受体α（hERalpha）LBD的同源性对人糖皮质激素受体（hGR）配体结合域（LBD）进行分子建模：一系列CYP3A4诱导剂中的定量结构-活性关系

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The results of homology modelling of the human glucorticoid receptor (hGR) ligand-binding domain (LBD) based on the ligand-bound domain of the human estrogen receptor alpha (hERalpha) are reported. It is shown that known hGR ligands which induce the human cytochrome P450 enzyme CYP3A4 are able to fit the putative ligand-binding site of the nuclear hormone receptor and form hydrogen bonds with key amino acid residues within the binding pocket. Quantitative structure-activity relationships (QSARs) have been derived for hGR-mediated CYP3A4 induction which involve certain molecular structural and physicochemical properties of the ligand themselves, yielding good correlations (R=0.96-0.98) with fold induction of CYP3A4 known to be mediated via hGR involvement.

机译：报告了基于人雌激素受体α（hERalpha）的配体结合域对人类糖皮质激素受体（hGR）配体结合域（LBD）进行同源建模的结果。已表明，诱导人细胞色素P450酶CYP3A4的已知hGR配体能够适合核激素受体的推定配体结合位点，并与结合口袋中的关键氨基酸残基形成氢键。已推导了hGR介导的CYP3A4诱导的定量构效关系（QSARs），涉及配体本身的某些分子结构和理化性质，与已知通过CYP3A4介导的倍数诱导产生良好的相关性（R = 0.96-0.98）。 hGR参与。

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《The Journal of Steroid Biochemistry and Molecular Biology》 |2002年第3期|共5页
作者
Lewis DF; Ogg MS; Goldfarb PS; Gibson GG;
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正文语种 eng
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Cytochrome P-450 Enzyme System; Protein Structure; Tertiary; Receptors; Estrogen; 蛋白质结构; 三级; 受体; 雌激素; 受体; 糖皮质激素;

机译：Cytochrome P-450 Enzyme System;Protein Structure;Tertiary;Receptors;Estrogen;蛋白质结构;三级;受体;雌激素;受体;糖皮质激素;

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1. Molecular modelling of the human glucocorticoid receptor (hGR) ligand-binding domain (LBD) by homology with the human estrogen receptor alpha (hERalpha) LBD: quantitative structure-activity relationships within a series of CYP3A4 inducers where induc [J] . Lewis DF, Ogg MS, Goldfarb PS, The Journal of Steroid Biochemistry and Molecular Biology . 2002,第2a3期

机译：通过与人雌激素受体α（hERalpha）LBD的同源性对人糖皮质激素受体（hGR）配体结合域（LBD）进行分子建模：一系列CYP3A4诱导剂中的定量结构-活性关系
2. Homology-modeled ligand-binding domains of medaka estrogen receptors and androgen receptors: a model system for the study of reproduction. [J] . Cui J, Shen X, Yan Z, Biochemical and Biophysical Research Communications . 2009,第1期

机译：花aka雌激素受体和雄激素受体的同源性建模配体结合结构域：用于生殖研究的模型系统。
3. Three-Dimensional Quantitative Structure-Activity Relationship Analysis for Human Pregnane X Receptor for the Prediction of CYP3A4 Induction in Human Hepatocytes: Structure-Based Comparative Molecular Field Analysis [J] . Handa Koichi, Nakagome Izumi, Yamaotsu Noriyuki, Journal of pharmaceutical sciences. . 2015,第1期

机译：人类孕烷X受体的三维定量构效关系分析，用于预测人类肝细胞中CYP3A4的诱导：基于结构的比较分子场分析
4. A New Transcript Splice Variant of the Human Glucocorticoid Receptor: Identification and Tissue Distribution of hGR△313-338, an Alternative Exon 2 Transactivation Domain Isoform [C] . JONATHAN D. TURNER, ANDREA B. SCHOTE, MARC KEIPES, Meeting on Cell Signaling World: Signal Transduction Pathways as Therapeutic Targets . 2007

机译：人糖皮质激素受体的一个新的转录剪接变体：hGR△313-338，另一外显子2反式激活域同工型的鉴定和组织分布。
5. Structural and functional characterization of human estrogen receptor alpha ligand-binding domain in complex with GW5638. [D] . Wu, Ya-Ling. 2005

机译：与GW5638结合的人雌激素受体α配体结合结构域的结构和功能表征。
6. Homology models of mouse and rat estrogen receptor-α ligand-binding domain created by in silico mutagenesis of a human template: molecular docking with 17ß-estradiol diethylstilbestrol and paraben analogs [O] . Thomas L. Gonzalez, James M. Rae, Justin A. Colacino, -1

机译：通过人类模板的计算机诱变创建的小鼠和大鼠雌激素受体-α配体结合域的同源性模型：与17ß-雌二醇己烯雌酚和对羟基苯甲酸酯类似物的分子对接
7. A Novel Point Mutation in the Ligand-Binding Domain (LBD) of the Human Glucocorticoid Receptor (hGR) Causing Generalized Glucocorticoid Resistance: The Importance of the C Terminus of hGR LBD in Conferring Transactivational Activity [O] . Evangelia Charmandari, Annaswamy Raji, Tomoshige Kino, 2005

机译：人糖皮质激素受体（HGR）的配体结合结构域（LBD）中的一种新型点突变，引起广泛的糖皮质激素抗性：HGR LBD中C末端在赋予反式激活活性的重要性
8. Substrate Induced Conformational Studies of the Hormone Binding Domain of the Human Estrogen Receptor by Fluorine NMR [R] . Luck, L. A. 2000

机译：通过氟NmR对底物诱导的人雌激素受体激素结合域的构象研究

Molecular modelling of the human glucocorticoid receptor (hGR) ligand-binding domain (LBD) by homology with the human estrogen receptor alpha (hERalpha) LBD: quantitative structure-activity relationships within a series of CYP3A4 inducers where induc

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