Structure based studies reveal an atypical antipsychotic drug candidate - Paliperidone as a potent hSOD1 modulator with implications in ALS treatment.

Structure based studies reveal an atypical antipsychotic drug candidate - Paliperidone as a potent hSOD1 modulator with implications in ALS treatment. Descriptor: (9~{R})-3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-9-oxidanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, GLYCEROL, Superoxide dismutase [Cu-Zn], ... Authors: Aouti, S, Padmanabhan, B. Deposit date: 2022-09-06 Release date: 2023-06-14 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure-based discovery of an antipsychotic drug, paliperidone, as a modulator of human superoxide dismutase 1: a potential therapeutic target in amyotrophic lateral sclerosis. Acta Crystallogr D Struct Biol, 79, 2023基于结构的研究表明，非典型抗精神病候选药物帕利哌酮（Paliperidone）是一种强效的人超氧化物歧化酶1（human superoxide dismutase 1，简称hSOD1）调节剂，在肌萎缩侧索硬化症（Amyotrophic Lateral Sclerosis，简称ALS）治疗中具有潜在应用价值。相关描述物：(9R)-3-[2-[4-(6-氟-1,2-苯并噁唑-3-基)哌啶-1-基]乙基]-2-甲基-9-羟基-6,7,8,9-四氢吡啶并[1,2-a]嘧啶-4-酮、甘油（GLYCEROL）、超氧化物歧化酶[Cu-Zn]（Superoxide dismutase [Cu-Zn]）等。作者：Aouti S、Padmanabhan B。提交日期：2022-09-06；发布日期：2023-06-14；最后修改日期：2024-11-13。实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率2.1 Å。引用文献：《基于结构发现抗精神病药物帕利哌酮为人超氧化物歧化酶1调节剂——肌萎缩侧索硬化症的潜在治疗靶点》，《Acta Crystallogr D Struct Biol》，第79卷，2023年。