8RLP

Human Carbonic Anhydrase II in complex with veralipride

これはPDB形式変換不可エントリーです。

8RLP の概要

• エントリーDOI: 10.2210/pdb8rlp/pdb
• 分子名称: Carbonic anhydrase 2, 1,2-ETHANEDIOL, ZINC ION, ... (5 entities in total)
• 機能のキーワード: human carbonic anhydrase ii, sulfonamide, veralipride, metalloenzyme, inhibitor, lyase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 29800.00

構造登録者

Angeli, A.,Ferraroni, M. (登録日: 2024-01-03, 公開日: 2025-01-15, 最終更新日: 2025-07-30)

主引用文献

Angeli, A.,Ferraroni, M.,Capasso, C.,Supuran, C.T.
The dopamine D 2 receptors antagonist Veralipride inhibits carbonic anhydrases: solution and crystallographic insights on human isoforms.
Chem Asian J, 19:e202400067-e202400067, 2024

PubMed Abstract: The inhibitory effects of veralipride, a benzamide-class antipsychotic acting as dopamine D receptors antagonist incorporates a primary sulfonamide moiety and was investigated for its interactions with carbonic anhydrase (CA) isoforms. In vitro profiling using the stopped-flow technique revealed that veralipride exhibited potent inhibitory activity across all tested hCA isoforms, with exception of hCA III. Comparative analysis with standard inhibitors, acetazolamide (AAZ), and sulpiride, provided insights for understanding the relative efficacy of veralipride as CA inhibitor. The study reports the X-ray crystal structure analysis of the veralipride adduct with three human (h) isoforms, hCA I, II, and CA XII mimic, allowing the understanding of the molecular interactions rationalizing its inhibitory effects against each isoform. These findings contribute to our understanding of veralipride pharmacological properties and for the design of structural analogs endowed with polypharmacological properties.

PubMed: 38334332
DOI: 10.1002/asia.202400067

実験手法

X-RAY DIFFRACTION (1.342 Å)