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Integrating AI-enhanced kinase enrichment analysis (KEA) with geometric deep learning and federated learning for precision drug repurposing. 将ai增强的激酶富集分析（KEA）与几何深度学习和联邦学习相结合，用于精确药物再利用。
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2026-04-30 DOI: 10.1016/j.drudis.2026.104687
Saleem Iqbal, Jing Chen, Debnath Pal, Bairong Shen
{"title":"Integrating AI-enhanced kinase enrichment analysis (KEA) with geometric deep learning and federated learning for precision drug repurposing.","authors":"Saleem Iqbal, Jing Chen, Debnath Pal, Bairong Shen","doi":"10.1016/j.drudis.2026.104687","DOIUrl":"10.1016/j.drudis.2026.104687","url":null,"abstract":"<p><p>Artificial intelligence (AI) is reshaping drug repurposing by integrating systems biology with molecular design. Here, we present a unified framework combining AI-enhanced Kinase Enrichment Analysis (KEA), geometric deep learning, and federated learning to enable scalable and privacy-preserving therapeutic discovery. KEA prioritizes disease-relevant kinases from multi-omics data, while geometric deep learning captures structure-activity relationships (SARs) at atomic resolution. Federated learning facilitates secure, multi-institutional model training across heterogeneous datasets. This integrative pipeline enhances identification of repurposable kinase inhibitors and supports emerging modalities, such as proteolysis-targeting chimeras (PROTACs). A case study in Alzheimer's disease (AD) highlights improved target prioritization and predictive performance. By bridging kinase signaling networks with AI-driven modeling, this framework provides a robust strategy for accelerating precision drug discovery and repurposing.</p>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":" ","pages":"104687"},"PeriodicalIF":7.5,"publicationDate":"2026-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147809305","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Building and managing a complex drug discovery consortium: insights from the tuberculosis drug accelerator. 建立和管理一个复杂的药物发现联盟：来自结核病药物加速器的见解。
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2026-04-30 DOI: 10.1016/j.drudis.2026.104688
Kelsey L Briggs, Betsy J Russell, Peter Warner, Ken Duncan, Steven J Berthel
{"title":"Building and managing a complex drug discovery consortium: insights from the tuberculosis drug accelerator.","authors":"Kelsey L Briggs, Betsy J Russell, Peter Warner, Ken Duncan, Steven J Berthel","doi":"10.1016/j.drudis.2026.104688","DOIUrl":"10.1016/j.drudis.2026.104688","url":null,"abstract":"<p><p>Developing tuberculosis drug regimens requires coordinated discovery of multiple, mechanistically distinct agents, which challenge traditional single-asset models. The Tuberculosis Drug Accelerator (TBDA) was established as a multi-organizational consortium to enable collaborative discovery across academia, industry and research institutions. Over more than a decade, the TBDA has demonstrated how such collaborations can align incentives, manage uncertainty and maintain portfolio discipline. This manuscript examines the operational and governance mechanisms that enable sustained collaboration. Although shaped by a global health context, this model can inform collaborative drug discovery efforts in other research settings requiring coordinated, multi-institutional approaches.</p>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":" ","pages":"104688"},"PeriodicalIF":7.5,"publicationDate":"2026-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147809302","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Epigenetic control of ion channels in cardiac fibrosis. 心肌纤维化中离子通道的表观遗传控制。
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2026-04-29 DOI: 10.1016/j.drudis.2026.104686
Xian-Ming Tao, Peng Liu, Peng Zhao, Qi Chen, Hui Tao
{"title":"Epigenetic control of ion channels in cardiac fibrosis.","authors":"Xian-Ming Tao, Peng Liu, Peng Zhao, Qi Chen, Hui Tao","doi":"10.1016/j.drudis.2026.104686","DOIUrl":"10.1016/j.drudis.2026.104686","url":null,"abstract":"<p><p>Cardiac fibrosis is a pathological process characterized by excessive collagen deposition and abnormal proliferation of cardiac fibroblasts. This condition can lead to impaired cardiac function and ventricular remodeling. The development of cardiac fibrosis involves multiple mechanisms, and studies confirm that epigenetic mechanisms play a crucial part in cardiac fibrosis. Maintaining ion channel homeostasis is essential for optimal cardiac function; any imbalance can induce a range of cardiovascular diseases. However, there is little in the way of a systematic overview of the epigenetic regulation of ion channels contributing to cardiac fibrosis. This review systematically summarizes the epigenetic mechanisms underlying ion channel-mediated cardiac fibrosis and discusses potential interventions and biomarkers, along with the challenges in this rapidly evolving field.</p>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":" ","pages":"104686"},"PeriodicalIF":7.5,"publicationDate":"2026-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147809233","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Decentralised clinical trials of investigational medicinal products. 临床试验药品的分散临床试验。
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2026-04-16 DOI: 10.1016/j.drudis.2026.104676
Abdel Douiri, Mohammad Alhnan, Muhammad Rizwan Asghar, Konstantinos Balaskas, Faiza Benaouda, John Bolodeoku, Clare Campbell-Cooper, Camille Carroll, Tao Chen, Keith Dorricott, Thierry Escudier, Carsten Flohr, Ben Forbes, Richard H Guy, Stephanie Langouet, Anthony Lockett, Rayka Malek, Angela May, Graham R McClelland, Sara M Nasereddin, Alejandro J Paredes, Sheuli Porkess, Eddie Power, Richard Russell, Richard Stephens, Heba Sailem, Daniel Sebastia Saez, Matthew R Sydes, John Weinman, Yunlong Zhao, Stuart A Jones
{"title":"Decentralised clinical trials of investigational medicinal products.","authors":"Abdel Douiri, Mohammad Alhnan, Muhammad Rizwan Asghar, Konstantinos Balaskas, Faiza Benaouda, John Bolodeoku, Clare Campbell-Cooper, Camille Carroll, Tao Chen, Keith Dorricott, Thierry Escudier, Carsten Flohr, Ben Forbes, Richard H Guy, Stephanie Langouet, Anthony Lockett, Rayka Malek, Angela May, Graham R McClelland, Sara M Nasereddin, Alejandro J Paredes, Sheuli Porkess, Eddie Power, Richard Russell, Richard Stephens, Heba Sailem, Daniel Sebastia Saez, Matthew R Sydes, John Weinman, Yunlong Zhao, Stuart A Jones","doi":"10.1016/j.drudis.2026.104676","DOIUrl":"10.1016/j.drudis.2026.104676","url":null,"abstract":"<p><p>Decentralised clinical trials (DCTs) can gather objective data in real-world settings through digital health technologies (DHTs) to obtain real-time measurements of clinical outcomes. However, such measurements remain infrequent in clinical trials of investigational medicinal products (CTIMPs). We review the decentralisation of CTIMPs, identify barriers to passive, real-time DHT use and recommend four solutions: a swift regulatory approval process for DHTs in clinical trials; development of specialised DHTs for CTIMPs; integration of human factors into DHT design for CTIMPs; and the adoption of data collection and transmission standards to enable decentralised CTIMPs to function effectively in patient homes.</p>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":" ","pages":"104676"},"PeriodicalIF":7.5,"publicationDate":"2026-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147715491","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Temporary Removal: Implementing Drug Data Exclusivity in China: A Comparative Analysis with Global Practices. 中国实施药品数据独占：与全球实践的比较分析。
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2026-04-03 DOI: 10.1016/j.drudis.2026.104660
Yu Chen, Xufeng Lv, Yun Li, Huiming Wang, Lijia Yuan, Jun Wang
{"title":"Temporary Removal: Implementing Drug Data Exclusivity in China: A Comparative Analysis with Global Practices.","authors":"Yu Chen, Xufeng Lv, Yun Li, Huiming Wang, Lijia Yuan, Jun Wang","doi":"10.1016/j.drudis.2026.104660","DOIUrl":"10.1016/j.drudis.2026.104660","url":null,"abstract":"<p><p>The publisher regrets, that this article has been temporarily removed. A replacement will appear as soon as possible in which the reason for the removal of the article will be specified, or the article will be reinstated. The full Elsevier Policy on Article Withdrawal can be found at https://www.elsevier.com/about/policies-and-standards/article-withdrawal.</p>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":" ","pages":"104660"},"PeriodicalIF":7.5,"publicationDate":"2026-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147621352","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Shaping national networks to improve patient access to advanced therapy medicinal products in Europe. 在欧洲建立国家网络，以改善患者获得先进治疗药物的机会。
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2026-04-03 DOI: 10.1016/j.drudis.2026.104661
Joyce M Hoek, Mike Broeders, Juan Francisco Hernandez, Heather Main, Pauline Meij, Daniël O Warmerdam, Lourens T Bloem, Renske M T Ten Ham
{"title":"Shaping national networks to improve patient access to advanced therapy medicinal products in Europe.","authors":"Joyce M Hoek, Mike Broeders, Juan Francisco Hernandez, Heather Main, Pauline Meij, Daniël O Warmerdam, Lourens T Bloem, Renske M T Ten Ham","doi":"10.1016/j.drudis.2026.104661","DOIUrl":"10.1016/j.drudis.2026.104661","url":null,"abstract":"<p><p>Advanced therapy medicinal products (ATMPs) offer the potential to address unmet medical needs, yet ensuring sustainable patient access remains challenging. In response, national ATMP networks are being established across Europe to strengthen ATMP development, cooperation between stakeholders and patient access. This targeted review provides an overview of (emerging) national ATMP networks across Europe and reflects on learnings and best practices. Drawing on insights from a Dutch multistakeholder workshop, a targeted European survey and interviews with established networks in the UK, Sweden and Ireland, this review concludes with recommendations to support the establishment of ATMP networks and improve patient access to ATMPs.</p>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":" ","pages":"104661"},"PeriodicalIF":7.5,"publicationDate":"2026-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147621284","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Corrigendum to "Fungal quorum-sensing molecules and antiseptics: A promising strategy for biofilm modulation?" [Drug Discov. Today 28 (2023) 103624]. “真菌群体感应分子和防腐剂：一种有前途的生物膜调节策略？”(药物。今天28(2023)103624]。
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2026-03-19 DOI: 10.1016/j.drudis.2026.104641
Emilli Karine Marcomini, Melyssa Negri
{"title":"Corrigendum to \"Fungal quorum-sensing molecules and antiseptics: A promising strategy for biofilm modulation?\" [Drug Discov. Today 28 (2023) 103624].","authors":"Emilli Karine Marcomini, Melyssa Negri","doi":"10.1016/j.drudis.2026.104641","DOIUrl":"10.1016/j.drudis.2026.104641","url":null,"abstract":"","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":" ","pages":"104641"},"PeriodicalIF":7.5,"publicationDate":"2026-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147472068","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Engineering strategies and therapeutic applications of synthetic Notch (synNotch) receptors in cancer therapeutics 合成Notch （synNotch）受体在癌症治疗中的工程策略和治疗应用。
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2026-03-01 Epub Date: 2026-02-09 DOI: 10.1016/j.drudis.2026.104619
Amol D. Gholap , Jai R. Vengurlekar , Navnath T. Hatvate , Nanasaheb D. Thorat
{"title":"Engineering strategies and therapeutic applications of synthetic Notch (synNotch) receptors in cancer therapeutics","authors":"Amol D. Gholap ,&nbsp;Jai R. Vengurlekar ,&nbsp;Navnath T. Hatvate ,&nbsp;Nanasaheb D. Thorat","doi":"10.1016/j.drudis.2026.104619","DOIUrl":"10.1016/j.drudis.2026.104619","url":null,"abstract":"<div><div>Synthetic Notch (synNotch) receptors have been developed as a novel approach to cell-based immunotherapy and will provide programmable, specific cancer treatments. Unlike existing fixed chimeric antigen receptor (CAR)-T cell therapies, synNotch receptors are a combination of modular domains, such as extracellular, transmembrane, and intracellular domains, for influencing gene expression depending on the present ligand. Through Boolean logic-based cellular decisions, synNotch receptors allow for a higher degree of precision and a lower degree of off-target effects. Logic-regulated circuits use pairs of ligands and receptors to detect indicators of the tumour microenvironment in a highly specific manner. The potential of synNotch in solid tumours such as glioma and pancreatic cancer has been demonstrated in preclinical models using CAR expression control and the ability to regulate cytokines, a method that could break through the obstacles of immunosuppressive niches and antigen escape. Continuous developments are resolving engineering challenges, and the fusion of synNotch with technologies such as CAR-T or induced pluripotent stem cells could be a transformative approach in cancer therapy.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"31 2","pages":"Article 104619"},"PeriodicalIF":7.5,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146163245","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Targeting farnesyltransferase for cancer therapy and beyond 靶向法尼基转移酶用于癌症治疗及其他。
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2026-03-01 Epub Date: 2026-02-09 DOI: 10.1016/j.drudis.2026.104622
Long-Can Mei, Han Xiao, Da-Wei Wang, Guang-Fu Yang
{"title":"Targeting farnesyltransferase for cancer therapy and beyond","authors":"Long-Can Mei,&nbsp;Han Xiao,&nbsp;Da-Wei Wang,&nbsp;Guang-Fu Yang","doi":"10.1016/j.drudis.2026.104622","DOIUrl":"10.1016/j.drudis.2026.104622","url":null,"abstract":"<div><div>Farnesyltransferase (FTase) mediates Ras prenylation, a crucial activation step. Historically, farnesyltransferase inhibitors (FTIs) failed in Ras-driven cancers because of geranylgeranyltransferase I (GGTase I)-mediated alternative prenylation of Ras. Recent advances have revitalized next-generation FTIs, developed via structure-guided design, phenotypic screening, or computational approaches, offering improved selectivity, dual FTase/GGTase I targeting, or enhanced peptidomimetic affinity to overcome resistance. Combinations with targeted agents or immunotherapies exert synergistic antitumor effects. FTIs are also explored for neurodegenerative, infectious, and viral diseases. In this review, we highlight advances in FTIs, their combination strategies and cross-disease potential, justifying why modern FTI approaches succeed where earlier ones faltered.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"31 2","pages":"Article 104622"},"PeriodicalIF":7.5,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146163197","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Therapeutic targeting of FZD receptor proteins with biologics in cancer FZD受体蛋白靶向治疗癌症的生物制剂研究。
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2026-03-01 Epub Date: 2026-02-06 DOI: 10.1016/j.drudis.2026.104621
Issam Hmila , Vladimir L. Katanaev
{"title":"Therapeutic targeting of FZD receptor proteins with biologics in cancer","authors":"Issam Hmila ,&nbsp;Vladimir L. Katanaev","doi":"10.1016/j.drudis.2026.104621","DOIUrl":"10.1016/j.drudis.2026.104621","url":null,"abstract":"<div><div>Wnt signaling plays key roles in the initiation, progression, and therapy resistance of various cancers. No drugs targeting this pathway are currently available, and several candidates have failed because they affected healthy tissues such as bone and intestine. It is necessary, therefore, to develop efficient and safe Wnt pathway inhibitors that act selectively on tumors. The targeting of individual FZD receptor proteins that initiate Wnt pathways is a promising approach to the development of selective inhibitors. In this review, we summarize the physiological and pathological roles of each of ten FZDs and describe diverse selective biologics that have been developed to target them. Antibodies, designer proteins, peptides, nanobodies, and aptamers are being studied for their potential as selective, efficient, and safe anti-Wnt treatments that could be used to combat specific cancers and other pathologies.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"31 2","pages":"Article 104621"},"PeriodicalIF":7.5,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146140500","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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