ARIEL 数据库发布：将 RNA–配体实验结合亲和力与三维结构配对
ARIEL: an openly accessible database of experimental RNA–ligand binding affinities paired with 3D structures
ARIEL（Affinity Resource for Interactions of RNA and Ligands）是一个开放获取、人工整理的数据库，把实验测定的 RNA–配体复合物解离常数（Kd）与对应的实验结构配对。作者从 Protein Data Bank 筛选了 6954 个含 RNA 的结构，提取出 2843 个带小分子配体的复合物，再人工查阅原始文献补齐相应 Kd 值，最终得到 278 个带实验亲和力的非冗余 RNA–配体复合物，涵盖 179 个配体与 171 个不同 RNA 靶标，Kd 跨九个数量级（−log Kd 2.1–11.0）。
来源：Nucleic Acids Research · doi.org
RNA is an increasingly attractive target for small-molecule therapeutics, yet the rational design and computational modelling of RNA-binding small molecules are constrained by the scarcity of experimentally measured binding affinities linked to 3D structures. Here we present ARIEL (Affinity Resource for Interactions of RNA and Ligands), an openly accessible, manually curated database that pairs experimentally determined dissociation constants (Kd) of RNA–ligand complexes with the corresponding experimental structures. We screened 6954 RNA-containing structures from the Protein Data Bank, extracted 2843 complexes with a small ligand, and manually curated the associated primary literature to retrieve the corresponding Kd values. This yielded a nonredundant dataset of 278 RNA–ligand complexes with experimental affinities, including 179 unique ligands bound to 171 different RNA targets, with Kd values spanning nine orders of magnitude (−log Kd 2.1–11.0). Each entry also provides the Kd measurement method and conditions, full literature provenance, ligand physicochemical descriptors, and binding-pocket annotations, with direct cross-links between structures, ligands and source publications. ARIEL will be maintained through regular, versioned releases; it is freely available at https://aocdweb.com/BioTools/ARIEL/.