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Advancements and challenges in using AI for biomarker detection in early Alzheimer’s disease 人工智能用于早期阿尔茨海默病生物标志物检测的进展和挑战。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-07-01 DOI: 10.1016/j.drudis.2025.104415
Iman Beheshti , Benedict C. Albensi , Alex Freitas , Taravat Ghafourian
{"title":"Advancements and challenges in using AI for biomarker detection in early Alzheimer’s disease","authors":"Iman Beheshti ,&nbsp;Benedict C. Albensi ,&nbsp;Alex Freitas ,&nbsp;Taravat Ghafourian","doi":"10.1016/j.drudis.2025.104415","DOIUrl":"10.1016/j.drudis.2025.104415","url":null,"abstract":"<div><div>The rapid growth in Alzheimer’s disease (AD) research has led to an unprecedented accumulation of biomedical and clinical data, including longitudinal patient datasets and comprehensive observational cohort databases comprising clinical, biomedical, neuroimaging and lifestyle data. Expert use of machine learning algorithms is indispensable in order to realize the full potential of the data for diagnosis and drug target discovery. Here, we provide an overview of the biomedical and neuroimaging measures for AD diagnosis and staging. We then critically review the application of machine learning (classification) methods to AD data and provide insight for future improvements and research directions. Future research should aim to improve interpretability, accessibility and thorough validation of the models, enabling translation into clinical applications.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 7","pages":"Article 104415"},"PeriodicalIF":6.5,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144367757","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
Unraveling the potential of diffusion models in small-molecule generation 揭示扩散模型在小分子生成中的潜力。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-07-01 DOI: 10.1016/j.drudis.2025.104413
Peining Zhang , Daniel Baker , Minghu Song , Jinbo Bi
{"title":"Unraveling the potential of diffusion models in small-molecule generation","authors":"Peining Zhang ,&nbsp;Daniel Baker ,&nbsp;Minghu Song ,&nbsp;Jinbo Bi","doi":"10.1016/j.drudis.2025.104413","DOIUrl":"10.1016/j.drudis.2025.104413","url":null,"abstract":"<div><div>Generative artificial intelligence (AI) presents chemists with novel ideas for drug design and facilitates the exploration of vast chemical spaces. As an emerging tool, diffusion models (DMs) have recently attracted great attention in drug research and development (R&amp;D). Here, we comprehensively review the latest advances in, and applications of, DMs in molecular generation. We introduce the theoretical principles of DMs and then categorize various DM-based molecular generation methods according to their mathematical and chemical applications. We also examine the performance of these models on benchmark datasets, with a particular focus on comparing the generation performance of existing 3D methods. Finally, we conclude by emphasizing current challenges and suggesting future research directions to fully exploit the potential of DMs in drug discovery.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 7","pages":"Article 104413"},"PeriodicalIF":6.5,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144493214","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
Antimicrobial Resistance: From Ukraine to Gaza 抗生素耐药性：从乌克兰到加沙。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-07-01 DOI: 10.1016/j.drudis.2025.104411
Santanu Datta
{"title":"Antimicrobial Resistance: From Ukraine to Gaza","authors":"Santanu Datta","doi":"10.1016/j.drudis.2025.104411","DOIUrl":"10.1016/j.drudis.2025.104411","url":null,"abstract":"","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 7","pages":"Article 104411"},"PeriodicalIF":6.5,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144339718","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
Translational PK/PD: a retrospective analysis of performance and impact from a drug portfolio 翻译PK/PD：从药物组合的性能和影响的回顾性分析。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-07-01 DOI: 10.1016/j.drudis.2025.104417
Rasmus Jansson-Löfmark , Markus Fridén , Lassina Badolo , Christine Ahlström , Ian Gurrell , Menelas N. Pangalos , Rhys DO Jones
{"title":"Translational PK/PD: a retrospective analysis of performance and impact from a drug portfolio","authors":"Rasmus Jansson-Löfmark ,&nbsp;Markus Fridén ,&nbsp;Lassina Badolo ,&nbsp;Christine Ahlström ,&nbsp;Ian Gurrell ,&nbsp;Menelas N. Pangalos ,&nbsp;Rhys DO Jones","doi":"10.1016/j.drudis.2025.104417","DOIUrl":"10.1016/j.drudis.2025.104417","url":null,"abstract":"<div><div>Attrition in drug development continues to be dominated by failure in clinical mid-stage proof-of-concept studies. Successfully demonstrating proof-of-mechanism (PoM) has been reported to be a key factor to improve clinical success. Accurate prediction and testing of PoM are crucial. This analysis of AstraZeneca’s portfolio assesses the role of translational PK/PD modelling in predicting clinical PoM. It has found that 83% of compounds had drug exposure–response within a threefold prediction accuracy. Notably, projects with robust PK/PD packages achieved an 85% success rate in PoM, compared with 33% for those with basic packages. This highlights how translational PK/PD modelling can significantly enhance success rates for drugs entering clinical trials.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 7","pages":"Article 104417"},"PeriodicalIF":6.5,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144493213","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
Exploring nucleotide and non-nucleotide cGAS-STING agonists: Therapeutic applications and future directions in cancer immunotherapy 探索核苷酸和非核苷酸cGAS-STING激动剂：在癌症免疫治疗中的治疗应用和未来方向。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-07-01 DOI: 10.1016/j.drudis.2025.104412
Abhishek Ghara , Gurubasavaraja Swamy Purawarga Matada , Payel Pramanick , Uday Raj Sharma , Prasad Sanjay Dhiwar
{"title":"Exploring nucleotide and non-nucleotide cGAS-STING agonists: Therapeutic applications and future directions in cancer immunotherapy","authors":"Abhishek Ghara ,&nbsp;Gurubasavaraja Swamy Purawarga Matada ,&nbsp;Payel Pramanick ,&nbsp;Uday Raj Sharma ,&nbsp;Prasad Sanjay Dhiwar","doi":"10.1016/j.drudis.2025.104412","DOIUrl":"10.1016/j.drudis.2025.104412","url":null,"abstract":"<div><div>The STING (stimulator of interferon genes) pathway plays a crucial role in immune defense against carcinoma. This review highlights its role in antigen response, tumor infiltration, and T-cell activation. Despite the promise of STING agonists, challenges like drug stability and toxicity hinder clinical success. Nanoparticle-based drug delivery and combinatorial strategies offer potential solutions to enhance efficacy and minimize resistance. Ongoing research focuses on developing novel STING agonists for improved cancer treatment. This article explores the pathway’s immunological significance, biochemical mechanisms, and pharmacological hurdles while discussing strategies to enhance the potency, safety, and therapeutic potential of STING-targeted therapies.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 7","pages":"Article 104412"},"PeriodicalIF":6.5,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144367758","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
Collaborative innovation during the drug discovery and development process 药物发现和开发过程中的协同创新。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-07-01 DOI: 10.1016/j.drudis.2025.104409
Xue Wu , Mirjam Knockaert , Paolo Blasi
{"title":"Collaborative innovation during the drug discovery and development process","authors":"Xue Wu ,&nbsp;Mirjam Knockaert ,&nbsp;Paolo Blasi","doi":"10.1016/j.drudis.2025.104409","DOIUrl":"10.1016/j.drudis.2025.104409","url":null,"abstract":"<div><div>Given the complexity and resource-intensive nature of the drug discovery and development process, breakthrough innovations often stem from multidisciplinary collaborations. This systematic literature review examines collaborative innovation within this process, analyzing current practices and identifying future research directions. The review used an evidence-based approach, retrieving 737 papers through a Web of Science “All Databases” search, and ultimately selecting 74 articles for discussion. The articles were categorized according to the initiation, implementation, and closure phases of collaborative innovation, and were classified into homogeneous and heterogeneous collaborations. Using this framework, we systematically reviewed the existing knowledge, with a particular focus on how collaborative innovation can be successfully initiated and implemented, and how it can generate positive outcomes for drug research.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 7","pages":"Article 104409"},"PeriodicalIF":6.5,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144293050","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
A step closer to medicinal product harmonisation: EMA PMS becomes the next focus of IDMP efforts 离药品统一又近了一步：EMA PMS成为IDMP工作的下一个重点。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-07-01 DOI: 10.1016/j.drudis.2025.104410
Michiel Stam
{"title":"A step closer to medicinal product harmonisation: EMA PMS becomes the next focus of IDMP efforts","authors":"Michiel Stam","doi":"10.1016/j.drudis.2025.104410","DOIUrl":"10.1016/j.drudis.2025.104410","url":null,"abstract":"","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 7","pages":"Article 104410"},"PeriodicalIF":6.5,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144309376","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
The discovery of medicines: drug testing on humans and the development of medical ethics before the 20th century. 药物的发现：20世纪以前的人体药物试验和医学伦理的发展。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-06-24 DOI: 10.1016/j.drudis.2025.104418
Agnieszka M Polak, Katarzyna Karska, Mariola Drozd
{"title":"The discovery of medicines: drug testing on humans and the development of medical ethics before the 20<sup>th</sup> century.","authors":"Agnieszka M Polak, Katarzyna Karska, Mariola Drozd","doi":"10.1016/j.drudis.2025.104418","DOIUrl":"https://doi.org/10.1016/j.drudis.2025.104418","url":null,"abstract":"<p><p>In this article, we review the historical approach to the discovery of medicines, human drug testing, and the development of medical ethics. We cover the period from prehistoric times until 1906, when the Pure Food and Drug Act was introduced in response to the poor quality of food products and medicines. In the first part of the article, we discuss the period before the 16<sup>th</sup> century when drug testing relied on observation, trial and error, prescriptions and recipes, and the first use of pharmacopoeias to ensure medication safety. The second part focuses on the 19<sup>th</sup> century which was marked, on the one hand, by pharmacological advancements and the rise of the pharmaceutical industry, and, on the other, by the need for the introduction of safety guidelines.</p>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":" ","pages":"104418"},"PeriodicalIF":6.5,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144504339","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
Transitioning to regulatory harmonisation for medicines: a comparison between Africa and Europe. 向药品监管协调过渡：非洲和欧洲之间的比较。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-06-23 DOI: 10.1016/j.drudis.2025.104416
Kirti Narsai, Hubert G M Leufkens, Francine Brinkhuis, Aukje K Mantel-Teeuwisse, Hendrika A van den Ham
{"title":"Transitioning to regulatory harmonisation for medicines: a comparison between Africa and Europe.","authors":"Kirti Narsai, Hubert G M Leufkens, Francine Brinkhuis, Aukje K Mantel-Teeuwisse, Hendrika A van den Ham","doi":"10.1016/j.drudis.2025.104416","DOIUrl":"https://doi.org/10.1016/j.drudis.2025.104416","url":null,"abstract":"<p><p>The harmonisation of medicines regulation has varied across regions. Europe began over 50 years ago, whereas Africa started only recently through regional initiatives. We compared regulatory developments in both regions, examining stakeholder influence, philosophy, funding, and systems. Key differences included legislation (common binding legislation was essential to success in Europe), economics, disease patterns, and industrial policy, while protecting health and work-sharing were common goals. Disease outbreaks drove African manufacturing and regulatory strengthening, whereas European harmonisation followed the formation of the European Union. The establishment of the European Medicines Agency in 1995 was crucial, but an African Medicines Agency remains in progress. Both regions require national support for supranational bodies. Africa has advanced in regulation recently, while Europe strengthens its system. Future health challenges require continued harmonisation efforts.</p>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":" ","pages":"104416"},"PeriodicalIF":6.5,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144493212","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
ADAM10: Function insights, disease implications, and promise of therapeutic targeting. ADAM10：功能洞察、疾病意义和治疗靶向前景。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-06-20 DOI: 10.1016/j.drudis.2025.104414
Wenqian Zhang, Youhua Xu, Junjiang Fu
{"title":"ADAM10: Function insights, disease implications, and promise of therapeutic targeting.","authors":"Wenqian Zhang, Youhua Xu, Junjiang Fu","doi":"10.1016/j.drudis.2025.104414","DOIUrl":"10.1016/j.drudis.2025.104414","url":null,"abstract":"<p><p>As a sheddase, ADAM10 plays a critical role in various physiological and pathological processes because of its widespread distribution and proteolytic functions. Dysregulation of ADAM10 is associated with multiple diseases, including cancer. Despite significant research, a comprehensive synthesis of its structural characteristics, activation mechanisms, regulatory pathways, and involvement in disease remains lacking. This review provides an in-depth analysis of ADAM10, focusing on its molecular structure, mechanisms of activation and regulation, and roles in normal physiology and disease, particularly cancer. By elucidating ADAM10's interactions and pathways, this review aims to identify potential therapeutic targets and strategies to modulate its activity in disease contexts, offering insights for researchers and clinicians.</p>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":" ","pages":"104414"},"PeriodicalIF":6.5,"publicationDate":"2025-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144367756","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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