Binding of agonist WAY-267,464 and antagonist WAY-methylated to oxytocin receptor probed by all-atom molecular dynamics simulations

首页> 外文期刊>Life sciences >Binding of agonist WAY-267,464 and antagonist WAY-methylated to oxytocin receptor probed by all-atom molecular dynamics simulations

【24h】

Binding of agonist WAY-267,464 and antagonist WAY-methylated to oxytocin receptor probed by all-atom molecular dynamics simulations

机译：通过全原子分子动力学模拟探测激动剂Way-267,464和拮抗剂对催产素受体的拮抗剂的结合

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

Aims: Non-peptide ligands of oxytocin receptor (OTR) have promising potentialities as therapeutic agents with improved pharmacological properties. WAY-267,464 is a non-peptide agonist which loses its agonist activity when its resorcinol moiety is methylated, yielding a partial antagonist (denoted here, WAY-Methylated). This study attempts to rationalize these opposing activities by comparative analyses of structural dynamicsof OTR in complex with these ligands.

机译：目的：催产素受体（OTR）的非肽配体具有具有改善的药理学性质的治疗剂的潜力。 Way-267,464是一种非肽激动剂，当其间苯二酚部分甲基化时，其失去其激动剂活性，产生部分拮抗剂（在此表示，方法 - 甲基化）。本研究试图通过对这些配体的复合体中的结构动态进行比较分析来理解这些反对活动。

著录项

来源
《Life sciences》 |2020年第2020期|共16页
作者

展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类医药、卫生;
关键词
Oxytocin receptor; WAY-267; 464; WAY-methylated; Molecular docking; MD simulation; MM-GBSA;

机译：催产素受体;Way-267;464;方式 - 甲基化;分子对接;MD模拟;MM-GBSA;

相似文献

外文文献
中文文献
专利

1. Binding of agonist WAY-267,464 and antagonist WAY-methylated to oxytocin receptor probed by all-atom molecular dynamics simulations [J] . Life sciences . 2020,第期

机译：通过全原子分子动力学模拟探测激动剂Way-267,464和拮抗剂对催产素受体的拮抗剂的结合
2. Investigation of mechanism of desmopressin binding in vasopressin V2 receptor versus vasopressin V1a and oxytocin receptors: Molecular dynamics simulation of the agonist-bound state in the membrane-aqueous system [J] . Slusarz MJ, Slusarz R, Ciarkowski J Biopolymers: Original Research on Biomolecules and Biomolecular Assemblies . 2006,第5期

机译：降压素V2受体与降压素V1a和催产素受体结合的去氨加压素结合机理的研究：膜-水系统中激动剂结合状态的分子动力学模拟
3. Study of New Oxytocin Antagonist Barusiban (Fe200 440) Affinity Toward Human Oxytocin Receptor Versus Vasopressin Via and V2 Receptors - Molecular Dynamics Simulation in POPC Bilayer [J] . Magdalena J. Slusarz, Artur Gieldon, Rafat Slusarz, QSAR & combinatorial science . 2005,第5期

机译：新型催产素拮抗剂Barusiban（Fe200 440）对人催产素受体与加压素和V2受体的亲和力的研究-POPC双层中的分子动力学模拟
4. Molecular Dynamics Simulation Studies on the Modulation of Vitamin D Receptor Activity by Agonists and Antagonists [C] . Mikael Perakyla International Workshop on Applied Parallel Computing . 2007

机译：吡喃和拮抗剂对维生素D受体活性调节的分子动力学模拟研究
5. New paradigm for drug design: Design and synthesis of novel biologically active peptides that are agonists at opioid receptors and antagonists at cholecystokinin receptors. [D] . Agnes, Richard Sario. 2003

机译：药物设计的新范例：设计和合成新型的生物活性肽，这些肽是阿片受体的激动剂，胆囊收缩素受体的拮抗剂。
6. Predicting Novel Binding Modes of Agonists to β Adrenergic Receptors Using All-Atom Molecular Dynamics Simulations [O] . Stefano Vanni, Marilisa Neri, Ivano Tavernelli, 2011

机译：使用全原子分子动力学模拟预测激动剂与β肾上腺素受体的新型结合模式
7. Predicting Novel Binding Modes of Agonists to β Adrenergic Receptors Using All-Atom Molecular Dynamics Simulations [O] . Vanni, Stefano, Neri, Marilisa, Tavernelli, Ivano, 2011

机译：使用全原子分子动力学模拟预测激动剂与β肾上腺素能受体的新型结合方式

Binding of agonist WAY-267,464 and antagonist WAY-methylated to oxytocin receptor probed by all-atom molecular dynamics simulations

摘要

著录项

相似文献

相关主题

期刊订阅