S2RSLDB: a comprehensive manually curated, internet-accessible database of the sigma-2 receptor selective ligands.
S2RSLDB: a comprehensive manually curated, internet-accessible database of the sigma-2 receptor selective ligands.
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S2RSLDB：Sigma-2受体选择性配体的全面手动策划的，可访问的Internet可访问数据库。
DOI：
10.1186/s13321-017-0191-5
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发表时间：
2017
影响因子：
8.6
通讯作者：
Amata E
中科院分区：
文献类型：
--
作者：
Nastasi G;Miceli C;Pittalà V;Modica MN;Prezzavento O;Romeo G;Rescifina A;Marrazzo A;Amata E
Sigma(σ)受体被认为是一类特殊的受体，由两个亚型组成：Sigma-1(σ1)和Sigma-2(σ2)。这两种受体亚型具有特定的药物作用、药理特性和分子特征。σ-2受体在几种肿瘤细胞系中过表达，其配体目前正在研究其在肿瘤诊断和治疗中的作用。σ-2受体的结构尚未披露，研究人员依靠σ-2受体放射配基结合分析来了解该受体的药理行为并设计新的先导化合物。在这里，我们介绍了σ-2受体选择性配体数据库(S2RSLDB)，这是一个人工管理的包含650多种化合物的Sigma-2受体选择性配体数据库。该数据库包括化学结构信息、放射性配基结合亲和力数据、计算的物理化学性质和实验放射性配基结合过程。S2RSLDB无需帐户登录即可在网上免费获得，并且拥有强大的搜索引擎，用户可以构建复杂的查询、对表格结果进行排序、生成彩色编码的2D和3D图形以及下载数据进行额外筛选。本文报道的收集对于开发具有σ-2受体亲和力、选择性和适当的物理化学性质的新的配体是非常有用的。该数据库将每年更新一次，在不久的将来，将提供一个在线提交表格，以帮助该数据库在研究界广泛传播并不断更新。该数据库可在http://www.researchdsf.unict.it/S2RSLDB.上获得
Sigma (σ) receptors are accepted as a particular receptor class consisting of two subtypes: sigma-1 (σ1) and sigma-2 (σ2). The two receptor subtypes have specific drug actions, pharmacological profiles and molecular characteristics. The σ2 receptor is overexpressed in several tumor cell lines, and its ligands are currently under investigation for their role in tumor diagnosis and treatment. The σ2 receptor structure has not been disclosed, and researchers rely on σ2 receptor radioligand binding assay to understand the receptor’s pharmacological behavior and design new lead compounds. Here we present the sigma-2 Receptor Selective Ligands Database (S2RSLDB) a manually curated database of the σ2 receptor selective ligands containing more than 650 compounds. The database is built with chemical structure information, radioligand binding affinity data, computed physicochemical properties, and experimental radioligand binding procedures. The S2RSLDB is freely available online without account login and having a powerful search engine the user may build complex queries, sort tabulated results, generate color coded 2D and 3D graphs and download the data for additional screening. The collection here reported is extremely useful for the development of new ligands endowed of σ2 receptor affinity, selectivity, and appropriate physicochemical properties. The database will be updated yearly and in the near future, an online submission form will be available to help with keeping the database widely spread in the research community and continually updated. The database is available at http://www.researchdsf.unict.it/S2RSLDB.