Molecular basis for cis-urocanic acid as a 5-HT2A receptor agonist

被引：5

作者：

Shen, Liang ^{[1
]}

Ji, Hong-Fang ^{[1
]}

机构：

[1] Shandong Univ Technol, Ctr Adv Study, Shandong Prov Res Ctr Bioinformat Engn & Tech, Zibo 255049, Peoples R China

来源：

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 2009年 / 19卷 / 18期

基金：

中国国家自然科学基金;

关键词：

Urocanic acid; 5-Hydroxytryptamine receptor; Binding modes; Docking simulations; II FORCE-FIELDS; SEROTONIN; 5-HT2A; IMMUNE SUPPRESSION; BINDING; DERIVATION; RESIDUES; POCKET;

D O I：

10.1016/j.bmcl.2009.07.143

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

The underlying mechanisms of urocanic acid (UA) to induce immune suppression remain elusive until the recent finding that cis-UA acts via the serotonin, 5-hydroxytryptamine (5-HT) receptor subtype 5-HT2A. In the present study, the interactions of cis-UA to 5-HT2A receptor were explored and compared with those of 5-HT to the same receptor using computational docking. Similar binding modes were observed for cis-UA and 5-HT with 5-HT2A receptor and the former possessed relatively higher binding affinity, which may account for cis-UA being a serotonin receptor agonist. Moreover, the molecular basis for the distinct binding affinities between the trans- and cis-UA with 5-HT2A receptor was also provided. (C) 2009 Elsevier Ltd. All rights reserved.

引用

页码：5307 / 5309

页数：3

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