• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利:CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验

范围:通过靶点和通路富集揭示表型筛选中的隐藏机制。

SCOPE: Revealing Hidden Mechanisms in Phenotypic Screens Through Target and Pathway Enrichment.

作者信息

Kapoor Abhijeet, Kelleher Keith, Underhill Suzanne, Jain Sankalp, Harvey Brandon K, Henderson Mark J

机构信息

Division of Preclinical Innovation, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville, MD 20850.

Cellular Stress and Inflammation Section, Intramural Research Program, National Institute on Drug Abuse, NIH, Suite 200, 251 Bayview Blvd, Baltimore, MD, 21224.

出版信息

bioRxiv. 2025 Jul 14:2025.07.11.664427. doi: 10.1101/2025.07.11.664427.

DOI:10.1101/2025.07.11.664427
PMID:40791405
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12338551/
Abstract

Phenotypic screening enables discovery of small molecules without requiring predefined targets, but mechanistic interpretation remains challenging due to polypharmacology and pathway complexity. We developed SCOPE (Screening Compound Ontology for Pathway Enrichment), a KNIME-based computational framework that resolves the molecular drivers of phenotypic activity by linking compound-level screening data to annotated targets and pathways. SCOPE integrates multi-source target annotations and performs statistical enrichment to identify shared mechanisms of action. Applied to a high-throughput screen for modulators of ER-stress induced secretion of endoplasmic reticulum (ER) resident proteins, a process known as exodosis, SCOPE identified calcium signaling as the most enriched KEGG pathway without prior biological context. Target enrichment revealed G protein-coupled receptors (GPCRs) involved in inositol 1,4,5-trisphosphate receptors (IP3Rs)-mediated signaling, with widespread antagonism among hit compounds implicating this pathway in the regulation of exodosis. Notably, SCOPE uncovered a novel role for the histamine receptor HRH1, which was validated by RNAi knockdown and pharmacological inhibition, implicating HRH1 as a potential therapeutic target in ER stress-related disorders. These results highlight SCOPE's potential to deconvolute phenotypic screens and uncover actionable mechanisms in complex cellular systems.

摘要

表型筛选能够发现小分子,而无需预先设定靶点,但由于多药理学和通路复杂性,其机制解释仍然具有挑战性。我们开发了SCOPE(用于通路富集的筛选化合物本体),这是一个基于KNIME的计算框架,通过将化合物水平的筛选数据与注释的靶点和通路相联系,来解析表型活性的分子驱动因素。SCOPE整合多源靶点注释并进行统计富集,以识别共同的作用机制。应用于内质网应激诱导内质网(ER)驻留蛋白分泌调节剂的高通量筛选(这一过程称为外排),SCOPE在没有先验生物学背景的情况下,将钙信号识别为最富集的KEGG通路。靶点富集揭示了参与肌醇1,4,5-三磷酸受体(IP3Rs)介导信号传导的G蛋白偶联受体(GPCRs),命中化合物之间广泛的拮抗作用表明该通路参与外排的调节。值得注意的是,SCOPE发现了组胺受体HRH1的新作用,这通过RNAi敲低和药理学抑制得到验证,表明HRH1是内质网应激相关疾病的潜在治疗靶点。这些结果突出了SCOPE在解析表型筛选和揭示复杂细胞系统中可操作机制方面的潜力。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9dee/12338551/f314b822573f/nihpp-2025.07.11.664427v1-f0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9dee/12338551/7535cbdcbe9c/nihpp-2025.07.11.664427v1-f0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9dee/12338551/ecddeeeb9be0/nihpp-2025.07.11.664427v1-f0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9dee/12338551/eb354efd1976/nihpp-2025.07.11.664427v1-f0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9dee/12338551/aecce231d0f8/nihpp-2025.07.11.664427v1-f0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9dee/12338551/f314b822573f/nihpp-2025.07.11.664427v1-f0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9dee/12338551/7535cbdcbe9c/nihpp-2025.07.11.664427v1-f0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9dee/12338551/ecddeeeb9be0/nihpp-2025.07.11.664427v1-f0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9dee/12338551/eb354efd1976/nihpp-2025.07.11.664427v1-f0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9dee/12338551/aecce231d0f8/nihpp-2025.07.11.664427v1-f0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9dee/12338551/f314b822573f/nihpp-2025.07.11.664427v1-f0005.jpg

相似文献

1
SCOPE: Revealing Hidden Mechanisms in Phenotypic Screens Through Target and Pathway Enrichment.范围:通过靶点和通路富集揭示表型筛选中的隐藏机制。
bioRxiv. 2025 Jul 14:2025.07.11.664427. doi: 10.1101/2025.07.11.664427.
2
Prescription of Controlled Substances: Benefits and Risks管制药品的处方:益处与风险
3
Management of urinary stones by experts in stone disease (ESD 2025).结石病专家对尿路结石的管理(2025年结石病专家共识)
Arch Ital Urol Androl. 2025 Jun 30;97(2):14085. doi: 10.4081/aiua.2025.14085.
4
Multi-Target Mechanisms of Si-Ni-San on Anxious Insomnia: An Example of Network-pharmacology and Molecular Docking Analysis.四逆散治疗焦虑性失眠的多靶点作用机制:基于网络药理学和分子对接分析的实例
Curr Med Chem. 2024 Oct 9. doi: 10.2174/0109298673299665240924090617.
5
Behavioral interventions to reduce risk for sexual transmission of HIV among men who have sex with men.降低男男性行为者中艾滋病毒性传播风险的行为干预措施。
Cochrane Database Syst Rev. 2008 Jul 16(3):CD001230. doi: 10.1002/14651858.CD001230.pub2.
6
Short-Term Memory Impairment短期记忆障碍
7
Hesperetin Inhibits Bladder Cancer Cell Proliferation and Promotes Apoptosis and Cycle Arrest by PI3K/AKT/FoxO3a and ER Stress-mitochondria Pathways.橙皮素通过PI3K/AKT/FoxO3a和内质网应激-线粒体途径抑制膀胱癌细胞增殖并促进凋亡和细胞周期阻滞。
Curr Med Chem. 2024 Feb 13. doi: 10.2174/0109298673283888231217174702.
8
Revealing the Multi-Target Mechanisms of Fespixon Cream in Diabetic Foot Ulcer Healing: Integrated Network Pharmacology, Molecular Docking, and Clinical RT-qPCR Validation.揭示非司匹克松乳膏促进糖尿病足溃疡愈合的多靶点机制:综合网络药理学、分子对接及临床逆转录定量聚合酶链反应验证
Curr Issues Mol Biol. 2025 Jun 25;47(7):485. doi: 10.3390/cimb47070485.
9
Unveiling the molecular mechanisms of human platelet lysate in enhancing endometrial receptivity.揭示人血小板裂解物增强子宫内膜容受性的分子机制。
Hum Reprod. 2025 Jul 15. doi: 10.1093/humrep/deaf118.
10
Solidago decurrens Lour. Controls LPS-Induced Acute Lung Injury by Reducing Inflammatory Responses and Modulating the TLR4/NF-κB/NLRP3 Signaling Pathway.一枝黄花通过减轻炎症反应和调节TLR4/NF-κB/NLRP3信号通路来控制脂多糖诱导的急性肺损伤。
J Ethnopharmacol. 2025 Jun 17:120172. doi: 10.1016/j.jep.2025.120172.

本文引用的文献

1
Advances in high throughput cell culture technologies for therapeutic screening and biological discovery applications.用于治疗性筛选和生物学发现应用的高通量细胞培养技术进展。
Bioeng Transl Med. 2023 Dec 4;9(3):e10627. doi: 10.1002/btm2.10627. eCollection 2024 May.
2
Excitotoxic glutamate levels cause the secretion of resident endoplasmic reticulum proteins.兴奋性谷氨酸水平导致驻留内质网蛋白的分泌。
J Neurochem. 2024 Sep;168(9):2461-2478. doi: 10.1111/jnc.16093. Epub 2024 Mar 15.
3
Modulating endoplasmic reticulum stress attenuates mast cell degranulation.
调节内质网应激可减轻肥大细胞脱颗粒。
Int Immunopharmacol. 2024 Jan 5;126:111336. doi: 10.1016/j.intimp.2023.111336. Epub 2023 Dec 5.
4
DrugBank 6.0: the DrugBank Knowledgebase for 2024.DrugBank 6.0:2024 年版 DrugBank 知识库。
Nucleic Acids Res. 2024 Jan 5;52(D1):D1265-D1275. doi: 10.1093/nar/gkad976.
5
The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods.2023 年的 ChEMBL 数据库:一个涵盖多种生物活性数据类型和时间段的药物发现平台。
Nucleic Acids Res. 2024 Jan 5;52(D1):D1180-D1192. doi: 10.1093/nar/gkad1004.
6
The IUPHAR/BPS Guide to PHARMACOLOGY in 2024.2024 年 IUPHAR/BPS 药理学指南。
Nucleic Acids Res. 2024 Jan 5;52(D1):D1438-D1449. doi: 10.1093/nar/gkad944.
7
Pharos 2023: an integrated resource for the understudied human proteome.Pharos 2023:一个针对人类蛋白质组中未被充分研究的部分的综合资源。
Nucleic Acids Res. 2023 Jan 6;51(D1):D1405-D1416. doi: 10.1093/nar/gkac1033.
8
The STRING database in 2023: protein-protein association networks and functional enrichment analyses for any sequenced genome of interest.2023 年的 STRING 数据库:针对任何感兴趣的测序基因组的蛋白质-蛋白质关联网络和功能富集分析。
Nucleic Acids Res. 2023 Jan 6;51(D1):D638-D646. doi: 10.1093/nar/gkac1000.
9
Maprotiline restores ER homeostasis and rescues neurodegeneration via Histamine Receptor H1 inhibition in retinal ganglion cells.马普替林通过抑制组胺受体 H1 恢复 ER 内稳态并挽救视网膜神经节细胞的神经退行性变。
Nat Commun. 2022 Nov 10;13(1):6796. doi: 10.1038/s41467-022-34682-y.
10
PubChem 2023 update.PubChem 2023 更新。
Nucleic Acids Res. 2023 Jan 6;51(D1):D1373-D1380. doi: 10.1093/nar/gkac956.