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Innovative industry perspective: Assessing the proposed regulatory changes and their impact on innovation and competitiveness of the EU regulatory framework as part of the EU General Pharmaceutical Legislation revision 创新行业视角:评估拟议的监管变化及其对欧盟监管框架的创新和竞争力的影响,作为欧盟一般药品立法修订的一部分。
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2025-09-09 DOI: 10.1016/j.drudis.2025.104468
Sini M. Eskola , Nick Sykes , Sabine Atzor , Gloria Garcia-Palacios , Janina Dzambazoska , Álmath Spooner , Max Rex , Becky Neil , Magda Chlebus , Marie L. De Bruin , Helga Gardarsdottir , Emilie Neez
{"title":"Innovative industry perspective: Assessing the proposed regulatory changes and their impact on innovation and competitiveness of the EU regulatory framework as part of the EU General Pharmaceutical Legislation revision","authors":"Sini M. Eskola ,&nbsp;Nick Sykes ,&nbsp;Sabine Atzor ,&nbsp;Gloria Garcia-Palacios ,&nbsp;Janina Dzambazoska ,&nbsp;Álmath Spooner ,&nbsp;Max Rex ,&nbsp;Becky Neil ,&nbsp;Magda Chlebus ,&nbsp;Marie L. De Bruin ,&nbsp;Helga Gardarsdottir ,&nbsp;Emilie Neez","doi":"10.1016/j.drudis.2025.104468","DOIUrl":"10.1016/j.drudis.2025.104468","url":null,"abstract":"<div><div>This study is the innovative pharmaceutical industry’s assessment on the European Union (EU) General Pharmaceutical Legislation and proposed legislative revisions analysed across seven domains: robustness, patient centricity, predictability, speed, agility, efficiency, and innovator support. Based on interviews, workshops, and literature reviews, the current system is robust, predictable, and patient-centred but lacks agility, efficiency, and speed. The analysed changes included the Regulatory Sandbox, scientific support for combination products, diversification of evidence, and marketing authorisation holder (MAH) involvement in labelling decisions. A Regulatory Sandbox enhances the agility, speed, and innovation of the system. Three concerns weaken the effectiveness of the system: the complexity of providing scientific support for combination products, a lack of flexibility in utilising diverse types of evidence, and the exclusion of MAHs from labelling decisions. Policymakers must address these gaps to achieve a competitive legal framework.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 10","pages":"Article 104468"},"PeriodicalIF":7.5,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145038886","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
Recent advances in computational strategies for allosteric site prediction: Machine learning, molecular dynamics, and network-based approaches 变构位点预测计算策略的最新进展:机器学习、分子动力学和基于网络的方法。
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2025-09-04 DOI: 10.1016/j.drudis.2025.104466
Jianxiang Huang , Guo Tang , Ning Liu , Xiaolong Li , Shaoyong Lu
{"title":"Recent advances in computational strategies for allosteric site prediction: Machine learning, molecular dynamics, and network-based approaches","authors":"Jianxiang Huang ,&nbsp;Guo Tang ,&nbsp;Ning Liu ,&nbsp;Xiaolong Li ,&nbsp;Shaoyong Lu","doi":"10.1016/j.drudis.2025.104466","DOIUrl":"10.1016/j.drudis.2025.104466","url":null,"abstract":"<div><div>The landscape of allosteric drug discovery is undergoing a transformative shift, driven by the integration of three computational approaches: machine learning (ML), molecular dynamics (MD) simulations, and network theory. ML identifies potential allosteric sites from multidimensional biological datasets; MD simulations, empowered by enhanced sampling algorithms, reveal transient conformational states; and network analyses uncover communication pathways, further aiding in site identification. Their synergy enables rational allosteric modulator design. However, challenges like high computational costs, limited datasets, and model generalizability persist. Future strategies will leverage ML-accelerated MD, open-science data platforms, and advanced ML techniques, including transfer learning with models like AlphaFold and ESM-2. This multidisciplinary approach holds great promise to enhance allosteric drug discovery, driving therapeutic breakthroughs in the post-structural genomics era.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 10","pages":"Article 104466"},"PeriodicalIF":7.5,"publicationDate":"2025-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145008052","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
Quantum intelligence in drug discovery: Advancing insights with quantum machine learning 药物发现中的量子智能:利用量子机器学习推进洞察。
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2025-09-02 DOI: 10.1016/j.drudis.2025.104463
Danishuddin , Md Azizul Haque , Vikas Kumar , Shahper Nazeer Khan , Jong-Joo Kim
{"title":"Quantum intelligence in drug discovery: Advancing insights with quantum machine learning","authors":"Danishuddin ,&nbsp;Md Azizul Haque ,&nbsp;Vikas Kumar ,&nbsp;Shahper Nazeer Khan ,&nbsp;Jong-Joo Kim","doi":"10.1016/j.drudis.2025.104463","DOIUrl":"10.1016/j.drudis.2025.104463","url":null,"abstract":"<div><div>Over recent decades, the pharmaceutical industry has undergone a major transformation with the integration of machine learning (ML) across various stages of the drug discovery pipeline. Although ML has accelerated molecular screening and drug development, it faces critical challenges, such as dependence on large, high-quality datasets, limited interpretability, and increased computational complexity for large systems. Quantum machine learning (QML) has emerged as a powerful alternative, combining quantum computing with artificial intelligence to address these limitations. By harnessing the ability of quantum systems to process high-dimensional data efficiently, QML promises improved accuracy and scalability. This review explores the contributions of QML to drug discovery, focusing on molecular property prediction, docking simulations, <em>de novo</em> design, limitations, ethics, and future directions.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 10","pages":"Article 104463"},"PeriodicalIF":7.5,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144999307","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
Shining light on liquid–liquid phase separation in chronic liver disease 为慢性肝病的液-液相分离研究提供新的思路。
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2025-09-02 DOI: 10.1016/j.drudis.2025.104464
Ming-Hui Li , Yang Yang , Qi-Qi Dong , Wen-Jie Sun , Hui Tao , Jing-Jing Yang
{"title":"Shining light on liquid–liquid phase separation in chronic liver disease","authors":"Ming-Hui Li ,&nbsp;Yang Yang ,&nbsp;Qi-Qi Dong ,&nbsp;Wen-Jie Sun ,&nbsp;Hui Tao ,&nbsp;Jing-Jing Yang","doi":"10.1016/j.drudis.2025.104464","DOIUrl":"10.1016/j.drudis.2025.104464","url":null,"abstract":"<div><div>Liquid–liquid phase separation (LLPS), a phenomenon characterized by a membrane-free structure formed by weak multivalent interactions of intracellular biological macromolecules, has attracted wide attention in the study of chronic liver diseases in recent years. LLPS has multiple roles in the occurrence and development of chronic liver disease, including regulating virus replication, affecting lipid metabolism, regulating immune response, and participating in the regulation of gene expression. This article reviews the specific mechanism of LLPS in chronic liver disease, and discusses its potential application in drug development, immunotherapy, and gene therapy, providing new ideas for the treatment of chronic liver disease.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 10","pages":"Article 104464"},"PeriodicalIF":7.5,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144999370","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
On-body drug delivery systems: State-of-the-art technologies, clinical application, and future perspectives. 体内给药系统:最新技术、临床应用和未来展望。
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2025-09-01 Epub Date: 2025-07-29 DOI: 10.1016/j.drudis.2025.104441
Rossella Dorati, Donato Cosco, Luigi Battaglia, Marzia Cirri, Bice Conti, Tommaso Borghi, Mirko Gabriele, Giacomo M Bruno, Paolo Rocco, Francesca Selmin, Francesca Maestrelli
{"title":"On-body drug delivery systems: State-of-the-art technologies, clinical application, and future perspectives.","authors":"Rossella Dorati, Donato Cosco, Luigi Battaglia, Marzia Cirri, Bice Conti, Tommaso Borghi, Mirko Gabriele, Giacomo M Bruno, Paolo Rocco, Francesca Selmin, Francesca Maestrelli","doi":"10.1016/j.drudis.2025.104441","DOIUrl":"10.1016/j.drudis.2025.104441","url":null,"abstract":"<p><p>In the context of subcutaneous administration, one of the main obstacles is related to the limited volume that can be administered without causing pain, immunogenicity, and injectability issues. To meet patient-specific needs, administering a highly concentrated drug within a relatively small volume poses several challenges. Recently, on-body drug delivery systems (OBDSs) have emerged as a way to overcome existing limitations in drug delivery, as they can enable the delivery of doses exceeding 2 ml at precisely controlled rates and durations. This article examines recently developed and/or authorized OBDSs, classified as either medical devices or medicinal products; provides an overview of biopharmaceutical requirements and patient compliance; and highlights market concerns and economic sustainability.</p>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":" ","pages":"104441"},"PeriodicalIF":7.5,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144758835","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
Addressing global regulatory challenges in rare disease drug development 应对罕见病药物开发中的全球监管挑战。
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2025-08-30 DOI: 10.1016/j.drudis.2025.104462
Enrico Costa , Vijayalekshmi Ajith , Ahmed F. Al Khaldi , Antonella Isgrò , Kerry J. Lee , Riccardo Luigetti , Anna M.G. Pasmooij , Violeta Stoyanova-Beninska , Eveline Trachsel , Julienne Vaillancourt , Steffen Thirstrup
{"title":"Addressing global regulatory challenges in rare disease drug development","authors":"Enrico Costa ,&nbsp;Vijayalekshmi Ajith ,&nbsp;Ahmed F. Al Khaldi ,&nbsp;Antonella Isgrò ,&nbsp;Kerry J. Lee ,&nbsp;Riccardo Luigetti ,&nbsp;Anna M.G. Pasmooij ,&nbsp;Violeta Stoyanova-Beninska ,&nbsp;Eveline Trachsel ,&nbsp;Julienne Vaillancourt ,&nbsp;Steffen Thirstrup","doi":"10.1016/j.drudis.2025.104462","DOIUrl":"10.1016/j.drudis.2025.104462","url":null,"abstract":"<div><div>Despite progress in rare disease treatment, many conditions still lack therapeutic options. In addition to specific legislation promoting research and investment, regulators have supported early dialogs with stakeholders, optimized processes and expedited the approval of medicines in areas with unmet medical needs, such as rare diseases. However, several challenges persist, particularly in generating robust evidence. The introduced flexibility must be balanced with uncertainty management. Our analysis identifies several priorities: establishing a common global regulatory language; recognizing and validating surrogate endpoints; involving patients in defining meaningful outcomes; and leveraging digital health technologies and decentralized clinical trials. These tools offer opportunities to improve evidence generation and access, supporting more efficient and inclusive development processes where traditional approaches can be limited or unfeasible.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 10","pages":"Article 104462"},"PeriodicalIF":7.5,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144937676","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
Global landscape and translational trajectories of flavonoid-based wound-healing research 基于黄酮类化合物的伤口愈合研究的全球景观和转化轨迹。
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2025-08-26 DOI: 10.1016/j.drudis.2025.104461
Lin Chen , Xiaofeng Yin , Aifa Tang , Yafei Yang
{"title":"Global landscape and translational trajectories of flavonoid-based wound-healing research","authors":"Lin Chen ,&nbsp;Xiaofeng Yin ,&nbsp;Aifa Tang ,&nbsp;Yafei Yang","doi":"10.1016/j.drudis.2025.104461","DOIUrl":"10.1016/j.drudis.2025.104461","url":null,"abstract":"<div><div>Flavonoids have antioxidant, anti-inflammatory, and antimicrobial properties, making them promising agents in wound healing. This scientometric analysis examined 3416 articles (2005–2024) from the Web of Science using CiteSpace, VOSviewer, and R to map global trends, collaborations, mechanisms, and translational pathways. PubMed was also searched to examine patterns in clinical research, encompassing both randomized controlled trials (|RCTs) and observational studies. China contributed 25.8% of publications, followed by India (14.8%) and the USA (10.5%). Research focus has shifted from phytochemistry to clinically oriented studies, with quercetin, hesperidin, luteolin, diosmetin, and naringenin emerging as leading compounds linked to nanoformulations and hydrogel composites. These results provide a quantitative roadmap for advancing flavonoid-based wound therapeutics toward clinical application.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 10","pages":"Article 104461"},"PeriodicalIF":7.5,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144937652","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
Determinants and implications of mobile health application acceptability in high-income countries: an assessment 高收入国家移动医疗应用可接受性的决定因素和影响:评估
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2025-08-23 DOI: 10.1016/j.drudis.2025.104460
Olugbenga Akiogbe , Yoshiyuki Kobayashi , Itsuki Kageyama , Nobuyuki Wakui , Yenogjoo Lim , Kota Kodama
{"title":"Determinants and implications of mobile health application acceptability in high-income countries: an assessment","authors":"Olugbenga Akiogbe ,&nbsp;Yoshiyuki Kobayashi ,&nbsp;Itsuki Kageyama ,&nbsp;Nobuyuki Wakui ,&nbsp;Yenogjoo Lim ,&nbsp;Kota Kodama","doi":"10.1016/j.drudis.2025.104460","DOIUrl":"10.1016/j.drudis.2025.104460","url":null,"abstract":"<div><div>Here, we synthesize evidence for the determinants influencing mobile health (mHealth) application acceptability in high-income countries. Based on a synthesis of key studies, we identify that performance expectancy, trust, effort expectancy, social influence, and facilitating conditions significantly shape user acceptance. These factors are further influenced by age, digital literacy, and motivation. Findings show that technical quality alone does not ensure adoption; successful integration requires clinical alignment, institutional trust, and user-centered design. Thus, progress in the use of mHealth applications will depend on collaboration among technologists, healthcare providers, and patients to co‑create solutions that meet both real needs and constraints.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 10","pages":"Article 104460"},"PeriodicalIF":7.5,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144937678","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
Advanced therapy medicinal products are coming of age: A pipeline analysis of the clinical trial landscape 先进治疗药物正在成熟:临床试验前景的管道分析。
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2025-08-23 DOI: 10.1016/j.drudis.2025.104459
Michiel Vanhaeren , Rik Gijsbers , Walter Van Dyck , Isabelle Huys , Steven Simoens
{"title":"Advanced therapy medicinal products are coming of age: A pipeline analysis of the clinical trial landscape","authors":"Michiel Vanhaeren ,&nbsp;Rik Gijsbers ,&nbsp;Walter Van Dyck ,&nbsp;Isabelle Huys ,&nbsp;Steven Simoens","doi":"10.1016/j.drudis.2025.104459","DOIUrl":"10.1016/j.drudis.2025.104459","url":null,"abstract":"<div><div>Advanced therapy medicinal products (ATMPs) are a unique class of biological medicines that are based on cells, genes, or tissues. Searching four databases, this analysis identified 2008 trials that investigated ATMPs and characterised them according to various characteristics, such as the sponsor type and phase of clinical development. This characterisation revealed that the market for ATMPs is maturing in terms of the number of products in development, the diseases being targeted, and the technologies being pursued. This characterisation is meant to help further the discussion on the ever-growing clinical trial landscape of ATMPs and inform healthcare payers.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 10","pages":"Article 104459"},"PeriodicalIF":7.5,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144937667","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
Advances in the computational development of hepatitis B virus capsid assembly modulators 乙型肝炎病毒衣壳组装调节剂的计算研究进展。
IF 7.5 2区 医学
Drug Discovery Today Pub Date : 2025-08-20 DOI: 10.1016/j.drudis.2025.104458
Ke Liu , Shaoqing Du , Weiqiao Deng , Zongjin Qu , Xueping Hu
{"title":"Advances in the computational development of hepatitis B virus capsid assembly modulators","authors":"Ke Liu ,&nbsp;Shaoqing Du ,&nbsp;Weiqiao Deng ,&nbsp;Zongjin Qu ,&nbsp;Xueping Hu","doi":"10.1016/j.drudis.2025.104458","DOIUrl":"10.1016/j.drudis.2025.104458","url":null,"abstract":"<div><div>The capsid protein (Cp) of hepatitis B virus (HBV) is crucial for the nucleocapsid formation, viral DNA replication, and virus–host cell interactions necessary for HBV persistence. Capsid assembly modulators (CAMs) target Cp dimer–dimer interactions, thereby inhibiting the reverse transcription of pregenomic RNA and the synthesis of relaxed circular DNA, leading to a reduction in covalently closed circular DNA amplification. This review highlights the use of molecular docking, quantitative structure–activity relationship (QSAR), and machine learning-based QSAR models, and molecular dynamics simulations, in CAM discovery and optimization. We aim to provide strategies for CAM discovery, optimization, and clinical translation from a computer-aided drug design perspective, thereby contributing to efforts toward a functional cure for HBV.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 10","pages":"Article 104458"},"PeriodicalIF":7.5,"publicationDate":"2025-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144937671","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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