SalA-VS-08(SalA-VS-08) - 药物靶点：κ opioid receptor_在研适应症：疼痛_专利_临床

概要

基本信息

药物类型

小分子化药

别名

靶点

κ opioid receptor

作用机制

κ opioid receptor激动剂(κ-阿片受体激动剂)

治疗领域

神经系统疾病

在研适应症

疼痛

非在研适应症-

原研机构

University of Innsbruck

在研机构

University of Innsbruck

非在研机构-

最高研发阶段药物发现

首次获批日期-

最高研发阶段(中国)-

特殊审评-

结构

分子式C22H25FN4O2

InChIKeyFABJNSZIAFHVDW-UHFFFAOYSA-N

CAS号2439152-14-2

关联

100 项与 SalA-VS-08 相关的临床结果

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100 项与 SalA-VS-08 相关的转化医学

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100 项与 SalA-VS-08 相关的专利（医药）

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1

项与 SalA-VS-08 相关的文献（医药）

2024-08-22·Journal of Medicinal Chemistry

Discovery of Novel, Selective, and Nonbasic Agonists for the Kappa-Opioid Receptor Determined by Salvinorin A-Based Virtual Screening

Article

作者: Olivé-Marti, Aina-Leonor ; Lamp, David ; Spetea, Mariana ; Hongnak, Siriwat ; Wolber, Gerhard ; Puls, Kristina

Modulating the kappa-opioid receptor (KOR) is a promising strategy for treating various human diseases. KOR agonists show potential for treating pain, pruritus, and epilepsy, while KOR antagonists show potential for treating depression, anxiety, and addiction. The diterpenoid Salvinorin A (SalA), a secondary metabolite of Salvia divinorum, is a potent and selective KOR agonist. Unlike typical opioids, SalA lacks a basic nitrogen, which encouraged us to search for nonbasic KOR ligands. Through structure-based virtual screening using 3D pharmacophore models based on the binding mode of SalA, we identified novel, nonbasic, potent, and selective KOR agonists. In vitro studies confirmed two virtual hits, SalA-VS-07 and SalA-VS-08, as highly selective for the KOR and showing G protein-biased KOR agonist activity. Both KOR ligands share a novel spiro-moiety and a nonbasic scaffold. Our findings provide novel starting points for developing therapeutics aimed at treating pain and other conditions in which KOR is a central player.

100 项与 SalA-VS-08 相关的药物交易

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