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苦味数据库(BitterDB):2024年苦味配体与味觉受体更新

BitterDB: 2024 update on bitter ligands and taste receptors.

作者信息

Ziaikin Evgenii, David Moran, Uspenskaya Sofya, Niv Masha Y

机构信息

The Institute of Biochemistry, Food and Nutrition, The Robert H Smith Faculty of Agriculture, Food and Environment, The Hebrew University of Jerusalem, Rehovot 76100, Israel.

出版信息

Nucleic Acids Res. 2025 Jan 6;53(D1):D1645-D1650. doi: 10.1093/nar/gkae1044.

Abstract

BitterDB (http://bitterdb.agri.huji.ac.il) was introduced in 2012 as a central resource for information on bitter-tasting molecules and their receptors, and was updated in 2019. The information in BitterDB is used for tasks such as exploring the bitter chemical space, choosing suitable ligands for experimental studies, analyzing receptors' selectivity and promiscuity, and developing machine learning predictors for taste. Here, we describe a major upgrade of the database, including significant increase in content as well as new features. BitterDB now holds over 2200 bitter molecules. For ∼700 molecules, at least one associated bitter taste receptor (TAS2R) is reported. The overall number of ligand-TAS2R associations is now close to 1800. BitterDB is extended to a total of 66 species (including dog, birds, fishes and primates). Following advances in computational structure prediction by AlphaFold and related methods, and the experimental determination of TAS2R structures by cryo-electron microscopy, BitterDB provides links to available structures of TAS2Rs.

摘要

苦味数据库(http://bitterdb.agri.huji.ac.il)于2012年推出,是一个关于苦味分子及其受体信息的核心资源,并于2019年进行了更新。苦味数据库中的信息用于多种任务,如探索苦味化学空间、为实验研究选择合适的配体、分析受体的选择性和 promiscuity,以及开发味觉的机器学习预测器。在此,我们描述了该数据库的一次重大升级,包括内容的显著增加以及新功能。苦味数据库现在包含超过2200种苦味分子。对于约700种分子,报告了至少一种相关的苦味受体(TAS2R)。配体 - TAS2R关联的总数现在接近1800。苦味数据库扩展到总共66个物种(包括狗、鸟类、鱼类和灵长类动物)。随着AlphaFold及相关方法在计算结构预测方面的进展,以及通过冷冻电子显微镜对TAS2R结构的实验测定,苦味数据库提供了TAS2R可用结构的链接。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8ef7/11701684/4f49db5aaed1/gkae1044figgra1.jpg

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