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Artificial intelligence in anti-obesity drug discovery: unlocking next-generation therapeutics 抗肥胖药物发现中的人工智能：解锁下一代治疗方法。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-03-17 DOI: 10.1016/j.drudis.2025.104333
Amit Gangwal , Antonio Lavecchia
{"title":"Artificial intelligence in anti-obesity drug discovery: unlocking next-generation therapeutics","authors":"Amit Gangwal ,&nbsp;Antonio Lavecchia","doi":"10.1016/j.drudis.2025.104333","DOIUrl":"10.1016/j.drudis.2025.104333","url":null,"abstract":"<div><div>Obesity, a multifactorial disease linked to severe health risks, requires innovative treatments beyond lifestyle changes and current medications. Existing anti-obesity drugs face limitations regarding efficacy, side effects, weight regain and high costs. Artificial intelligence (AI) is emerging as a pivotal tool in drug discovery, expediting the identification of novel drug candidates and optimizing treatment strategies. This review examines AI’s potential in developing next-generation anti-obesity therapeutics, with a focus on glucagon-like peptide-1 receptor agonists (GLP-1 RAs) and their role in discovering anti-obesity peptides. Additionally, it explores integration challenges and offers future perspectives on leveraging AI to reshape the landscape of anti-obesity drug discovery.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 4","pages":"Article 104333"},"PeriodicalIF":6.5,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143661875","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enhancing clinical trial outcome prediction with artificial intelligence: a systematic review 用人工智能增强临床试验结果预测：系统综述。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-03-15 DOI: 10.1016/j.drudis.2025.104332
Long Qian , Xin Lu , Parvez Haris , Jianyong Zhu , Shuo Li , Yingjie Yang
{"title":"Enhancing clinical trial outcome prediction with artificial intelligence: a systematic review","authors":"Long Qian ,&nbsp;Xin Lu ,&nbsp;Parvez Haris ,&nbsp;Jianyong Zhu ,&nbsp;Shuo Li ,&nbsp;Yingjie Yang","doi":"10.1016/j.drudis.2025.104332","DOIUrl":"10.1016/j.drudis.2025.104332","url":null,"abstract":"<div><div>Clinical trials are pivotal in drug development yet fraught with uncertainties and resource-intensive demands. The application of AI models to forecast trial outcomes could mitigate failures and expedite the drug discovery process. This review discusses AI methodologies that impact clinical trial outcomes, focusing on clinical text embedding, trial multimodal learning, and prediction techniques, while addressing practical challenges and opportunities.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 4","pages":"Article 104332"},"PeriodicalIF":6.5,"publicationDate":"2025-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143646648","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Corrigendum to "Benchmarking R&D success rates of leading pharmaceutical companies: an empirical analysis of FDA approvals (2006-2022)" [Drug Discov. Today 30(2) (2025) 104291]. “领先制药公司的研发成功率标杆化：FDA批准的实证分析（2006-2022）”的勘误表(药物。今日30(2)(2025)104291]。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-03-15 DOI: 10.1016/j.drudis.2025.104326
Alexander Schuhmacher, Markus Hinder, Elazar Brief, Oliver Gassmann, Dominik Hartl
{"title":"Corrigendum to \"Benchmarking R&D success rates of leading pharmaceutical companies: an empirical analysis of FDA approvals (2006-2022)\" [Drug Discov. Today 30(2) (2025) 104291].","authors":"Alexander Schuhmacher, Markus Hinder, Elazar Brief, Oliver Gassmann, Dominik Hartl","doi":"10.1016/j.drudis.2025.104326","DOIUrl":"10.1016/j.drudis.2025.104326","url":null,"abstract":"","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":" ","pages":"104326"},"PeriodicalIF":6.5,"publicationDate":"2025-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143623006","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
2024 in Review: FDA Approval of New Medicines 2024年审查：FDA批准新药。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-03-15 DOI: 10.1016/j.drudis.2025.104334
Michael S. Kinch, Zachary Kraft, Tyler Schwartz
{"title":"2024 in Review: FDA Approval of New Medicines","authors":"Michael S. Kinch,&nbsp;Zachary Kraft,&nbsp;Tyler Schwartz","doi":"10.1016/j.drudis.2025.104334","DOIUrl":"10.1016/j.drudis.2025.104334","url":null,"abstract":"","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 4","pages":"Article 104334"},"PeriodicalIF":6.5,"publicationDate":"2025-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143646645","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
Ramipril, perindopril and trandolapril as potential chemosensitizers in ovarian cancer: Considerations for drug repurposing 雷米普利、培哚普利和曲多普利作为卵巢癌的潜在化学增敏剂：药物再利用的考虑。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-03-13 DOI: 10.1016/j.drudis.2025.104331
Katarzyna Regulska , Paulina Gieremek , Marcin Michalak , Tomasz Kolenda , Marlena Janiczek-Polewska , Joanna Kozłowska-Masłoń , Zefiryn Cybulski , Beata J. Stanisz
{"title":"Ramipril, perindopril and trandolapril as potential chemosensitizers in ovarian cancer: Considerations for drug repurposing","authors":"Katarzyna Regulska ,&nbsp;Paulina Gieremek ,&nbsp;Marcin Michalak ,&nbsp;Tomasz Kolenda ,&nbsp;Marlena Janiczek-Polewska ,&nbsp;Joanna Kozłowska-Masłoń ,&nbsp;Zefiryn Cybulski ,&nbsp;Beata J. Stanisz","doi":"10.1016/j.drudis.2025.104331","DOIUrl":"10.1016/j.drudis.2025.104331","url":null,"abstract":"<div><div>Ovarian cancer (OC) has poor survival statistics and increasing prevalence. One of the new options for its therapy could be overcoming platinum resistance. In this review, we have considered the idea of repositioning angiotensin-converting enzyme inhibitors (ACE-Is) as chemosensitizers. These drugs have been shown to suppress angiogenesis and OC cell migration in preclinical studies. Moreover, clinical data have shown that using ACE-Is with standard chemotherapy prolongs patient survival. Based on this rationale, we discuss the available <em>in vitro</em> models of OC for future studies with ACE-Is and demonstrate an <em>in silico</em> approach that has enabled us to select the most promising molecules: perindopril, ramipril, trandolapril and their diketopiperazine derivatives.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 4","pages":"Article 104331"},"PeriodicalIF":6.5,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143633157","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
Dissolving microneedles for brain delivery: Recent advances and challenges 脑输送溶解微针：最新进展和挑战。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-03-12 DOI: 10.1016/j.drudis.2025.104330
Kaustubh Ajit Kolekar , Popat S. Kumbhar , Sukriti Vishwas , Kamal Dua , Sachin Kumar Singh
{"title":"Dissolving microneedles for brain delivery: Recent advances and challenges","authors":"Kaustubh Ajit Kolekar ,&nbsp;Popat S. Kumbhar ,&nbsp;Sukriti Vishwas ,&nbsp;Kamal Dua ,&nbsp;Sachin Kumar Singh","doi":"10.1016/j.drudis.2025.104330","DOIUrl":"10.1016/j.drudis.2025.104330","url":null,"abstract":"<div><div>Over the past decade, dissolving microneedles (DMNs) have emerged as a promising approach for drug delivery to the brain. They are tiny devices designed to penetrate biological barriers, offering a painless method for localized and controlled drug delivery. They are suitable for delivering drugs that are susceptible to degradation when delivered orally. Recently, drug-loaded DMNs have been explored for treating neurodegenerative diseases, including Alzheimer’s (AD) and Parkinson’s disease (PD). DMNs can deliver drugs efficiently to the brain via the intranasal, transdermal, and intracranial routes. In this review, we discuss the use of DMNs for delivering drugs to the brain, recent technological advances, clinical status, and current challenges related to their translation.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 4","pages":"Article 104330"},"PeriodicalIF":6.5,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143629996","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
Opportunities and insights from pharmaceutical companies on the current use of new approach methodologies in nonclinical safety assessment 制药公司对目前在非临床安全性评估中使用新方法的机遇和见解。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-03-12 DOI: 10.1016/j.drudis.2025.104328
Jacintha Shenton , Imein Bousnina , Michael Oropallo , Rhiannon David , Lucinda Weir , Thomas K. Baker , Helen-Marie Dunmore , Remi Villenave , Mary McElroy , Betty Pettersen , Tushar Kokate , Claudette L. Fuller , Kimberly A. Homan , Eloise Hudry , Charles Wood , Sam Gunter
{"title":"Opportunities and insights from pharmaceutical companies on the current use of new approach methodologies in nonclinical safety assessment","authors":"Jacintha Shenton ,&nbsp;Imein Bousnina ,&nbsp;Michael Oropallo ,&nbsp;Rhiannon David ,&nbsp;Lucinda Weir ,&nbsp;Thomas K. Baker ,&nbsp;Helen-Marie Dunmore ,&nbsp;Remi Villenave ,&nbsp;Mary McElroy ,&nbsp;Betty Pettersen ,&nbsp;Tushar Kokate ,&nbsp;Claudette L. Fuller ,&nbsp;Kimberly A. Homan ,&nbsp;Eloise Hudry ,&nbsp;Charles Wood ,&nbsp;Sam Gunter","doi":"10.1016/j.drudis.2025.104328","DOIUrl":"10.1016/j.drudis.2025.104328","url":null,"abstract":"<div><div>Sharing New Approach Methodology (NAM)-based regulatory experiences is crucial for improving human risk assessment and reducing animal use in drug safety testing. To foster broader adoption, the Biotechnology Innovation Organization surveyed companies about NAM usage and collected case studies showcasing NAM-based regulatory filings for biotherapeutics, where NAMs replaced large animal studies for safety assessment. These scientifically justified approaches were generally accepted by global health authorities, particularly in the context of species relevance limitations, prior target modulation experience, and/or when addressing severe disease. Despite successes with NAM-based global regulatory filings, there are concerns from companies about global regulatory harmonization and clinical translatability. NAMs have the potential for greater uptake with enhanced guidance and industry–regulatory agency collaboration being key to their adoption.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 4","pages":"Article 104328"},"PeriodicalIF":6.5,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143629997","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Molecule-rich solutions for achieving novel non-opioid analgesics 实现新型非阿片类镇痛药的富分子解决方案。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-03-11 DOI: 10.1016/j.drudis.2025.104329
Xingxing Liu , Chaoyi Deng , Yu Deng , Xudong Luo , Wensheng Zhang
{"title":"Molecule-rich solutions for achieving novel non-opioid analgesics","authors":"Xingxing Liu ,&nbsp;Chaoyi Deng ,&nbsp;Yu Deng ,&nbsp;Xudong Luo ,&nbsp;Wensheng Zhang","doi":"10.1016/j.drudis.2025.104329","DOIUrl":"10.1016/j.drudis.2025.104329","url":null,"abstract":"<div><div>Despite their efficacy, opioids have long been associated with risks of addiction, tolerance, and dependence, leaving an unmet clinical need for pain treatment. Efforts have been devoted to developing novel classes of pain-relieving medication that outperform current options in terms of pain relief, side-effect profiles, and potential for abuse, but with limited success. Recent advances in the neurobiology of pain have shed light on the potential of targeting non-opioid receptors involved in pain processing. In this review, we identify avenues, ranging from molecular-based approaches to molecule-rich solutions, for effectively identifying non-opioid analgesics free from the side effects associated with opioids.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 4","pages":"Article 104329"},"PeriodicalIF":6.5,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143623010","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Leveraging machine learning for drug repurposing in rheumatoid arthritis 利用机器学习对类风湿关节炎进行药物再利用。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-03-11 DOI: 10.1016/j.drudis.2025.104327
Qin-Yi Su , Yi-Xin Cao , He-Yi Zhang , Yong-Zhi Li , Sheng-Xiao Zhang
{"title":"Leveraging machine learning for drug repurposing in rheumatoid arthritis","authors":"Qin-Yi Su ,&nbsp;Yi-Xin Cao ,&nbsp;He-Yi Zhang ,&nbsp;Yong-Zhi Li ,&nbsp;Sheng-Xiao Zhang","doi":"10.1016/j.drudis.2025.104327","DOIUrl":"10.1016/j.drudis.2025.104327","url":null,"abstract":"<div><div>Rheumatoid arthritis (RA) presents a significant challenge in clinical management because of the dearth of effective drugs despite advances in understanding its mechanisms. Drug repurposing has emerged as a promising strategy to address this gap, offering potential cost savings and expediting drug discovery. Notably, computational methods, particularly machine learning (ML), have shown promise in RA drug repurposing. In this review, we survey various drug-repurposing approaches, both classical and contemporary, highlighting the pivotal role of ML. We summarize RA candidate drugs identified through computational strategies and discuss prevailing challenges in this domain. Leveraging ML, alongside a deepening understanding of RA mechanisms, holds promise for enhancing pharmacological treatment options for patients with RA.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 4","pages":"Article 104327"},"PeriodicalIF":6.5,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143623008","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
Embracing the future of medicine with virtual patients 用虚拟病人拥抱医学的未来。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2025-03-01 DOI: 10.1016/j.drudis.2025.104322
Ken Wang , Neil John Parrott , Thierry Lavé
{"title":"Embracing the future of medicine with virtual patients","authors":"Ken Wang ,&nbsp;Neil John Parrott ,&nbsp;Thierry Lavé","doi":"10.1016/j.drudis.2025.104322","DOIUrl":"10.1016/j.drudis.2025.104322","url":null,"abstract":"<div><div>The adoption of virtual patients promises to revolutionize pharmaceutical R&amp;D and health care through more patient-centric approaches and is driven by integrating innovations in computational approaches, AI, and advanced <em>in vitro</em> human model systems. Virtual patients can create the conditions for faster and more predictive R&amp;D, affecting all drivers of R&amp;D productivity. Virtual patients enable personalized health care, ensuring precise drug dosing and scheduling to maximize efficacy and minimize adverse effects. Numerous concrete examples demonstrate the transformative potential of virtual patients in real-world scenarios, showcasing significant improvements in drug development and clinical outcomes. Despite challenges in data variability, regulatory compliance, and data privacy, virtual patients hold immense potential to transform R&amp;D and clinical practices, driving a new era of personalized and efficient R&amp;D and health care.</div></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"30 3","pages":"Article 104322"},"PeriodicalIF":6.5,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143539644","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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