文献类型： 外文期刊
第一作者： Ji, Xiaofeng
作者： Ji, Xiaofeng;Xiao, Yi;Liu, Shiyong;Ji, Xiaofeng;Xiao, Yi;Liu, Shiyong;Ji, Xiaofeng
作者机构：
关键词： Na(v)1; 5 pore domain; three-dimensional structure; homology modeling; binding sites; local anesthetic drugs
期刊名称：JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS （ 影响因子：3.31； 五年影响因子：2.689 ）
ISSN： 0739-1102
年卷期： 2018 年 36 卷 9 期
页码：
收录情况： SCI
摘要： The pore domain of human voltage-dependent cardiac sodium channel Na(v)1.5 (hNa(v)1.5) is the crucial binding targets for anti-arrhythmics drugs and some local anesthetic drugs but its three-dimensional structure is still lacking. This has affected the detailed studies of the binding features and mechanism of these drugs. In this paper, we present a structural model for open-state pore domain of hNa(v)1.5 built using single template ROSETTA-membrane homology modeling with the crystal structure of NavMs. The assembled structural models are evaluated by rosettaMP energy and locations of binding sites. The modeled structures of the pore domain of hNa(v)1.5 in open state will be helpful to explore molecular mechanism of a state-dependent drug binding and help designing new drugs.
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