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Oxygen-generating biomaterials for cardiovascular engineering: unveiling future discoveries 用于心血管工程的制氧生物材料：揭开未来发现的神秘面纱。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2024-08-03 DOI: 10.1016/j.drudis.2024.104135
Masoud Mozafari , Mohammad E. Barbati
{"title":"Oxygen-generating biomaterials for cardiovascular engineering: unveiling future discoveries","authors":"Masoud Mozafari ,&nbsp;Mohammad E. Barbati","doi":"10.1016/j.drudis.2024.104135","DOIUrl":"10.1016/j.drudis.2024.104135","url":null,"abstract":"<div><p>Oxygen-generating biomaterials are emerging as a groundbreaking solution for transforming cardiovascular engineering. These biomaterials generate and release oxygen within various biomedical applications, marking a new frontier in healthcare. Most cardiovascular treatments face a significant challenge, ensuring a consistent oxygen supply to nurture engineered tissues or even implanted devices. Traditional methods relying on passive oxygen diffusion often fall short, hindering functional cardiovascular tissue development. Oxygen-generating biomaterials, incorporating agents like calcium peroxide, provide a controlled oxygen source to the surrounding cells. This innovation potentially enhances cell viability, stimulates growth and boosts metabolic activity crucial for tissue health. Applications include repairing cardiac and vascular tissues, disease modeling, drug testing and personalized medicine, promising tailored treatments. Challenges like material toxicity and oxygen release control need consideration. As research progresses, the use of these innovative biomaterials in clinical translation could reshape cardiovascular healthcare, revolutionizing patient outcomes in heart disease treatment.</p></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"29 9","pages":"Article 104135"},"PeriodicalIF":6.5,"publicationDate":"2024-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1359644624002605/pdfft?md5=03c192c5e98046ed19373c8728b6f9f9&pid=1-s2.0-S1359644624002605-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141892498","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
Advances in structure-based drug design targeting membrane protein markers in prostate cancer 针对前列腺癌膜蛋白标记物的结构药物设计进展。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2024-08-03 DOI: 10.1016/j.drudis.2024.104130
João P. Batista-Silva , Diana Gomes , Sérgio F. Sousa , Ângela Sousa , Luís A. Passarinha
{"title":"Advances in structure-based drug design targeting membrane protein markers in prostate cancer","authors":"João P. Batista-Silva ,&nbsp;Diana Gomes ,&nbsp;Sérgio F. Sousa ,&nbsp;Ângela Sousa ,&nbsp;Luís A. Passarinha","doi":"10.1016/j.drudis.2024.104130","DOIUrl":"10.1016/j.drudis.2024.104130","url":null,"abstract":"<div><p>Prostate cancer (PCa) is one of the leading cancers in men and the lack of suitable biomarkers or their modulators results in poor prognosis. Membrane proteins (MPs) have a crucial role in the development and progression of PCa and can be attractive therapeutic targets. However, experimental limitations in targeting MPs hinder effective biomarker and inhibitor discovery. To overcome this barrier, computational methods can yield structural insights and screen large libraries of compounds, accelerating lead identification and optimization. In this review, we examine current breakthroughs in computer-aided drug design (CADD), with emphasis on structure-based approaches targeting the most relevant membrane-bound PCa biomarkers.</p></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"29 9","pages":"Article 104130"},"PeriodicalIF":6.5,"publicationDate":"2024-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1359644624002551/pdfft?md5=3fd56d548a560002f71c6a4720003490&pid=1-s2.0-S1359644624002551-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141892496","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
Navigating the frontier of drug-like chemical space with cutting-edge generative AI models 用最先进的生成式人工智能模型探索类药物化学空间的前沿。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2024-08-03 DOI: 10.1016/j.drudis.2024.104133
Antonio Lavecchia
{"title":"Navigating the frontier of drug-like chemical space with cutting-edge generative AI models","authors":"Antonio Lavecchia","doi":"10.1016/j.drudis.2024.104133","DOIUrl":"10.1016/j.drudis.2024.104133","url":null,"abstract":"<div><p>Deep generative models (GMs) have transformed the exploration of drug-like chemical space (CS) by generating novel molecules through complex, nontransparent processes, bypassing direct structural similarity. This review examines five key architectures for CS exploration: recurrent neural networks (RNNs), variational autoencoders (VAEs), generative adversarial networks (GANs), normalizing flows (NF), and Transformers. It discusses molecular representation choices, training strategies for focused CS exploration, evaluation criteria for CS coverage, and related challenges. Future directions include refining models, exploring new notations, improving benchmarks, and enhancing interpretability to better understand biologically relevant molecular properties.</p></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"29 9","pages":"Article 104133"},"PeriodicalIF":6.5,"publicationDate":"2024-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1359644624002587/pdfft?md5=0ee815e5dbb9a06826d24ccadbf6fc05&pid=1-s2.0-S1359644624002587-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141892497","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
Repurposing cardiac glycosides for anticancer treatment: a review of clinical studies 将强心苷重新用于抗癌治疗：临床研究综述。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2024-08-03 DOI: 10.1016/j.drudis.2024.104129
Wan Najbah Nik Nabil , Rongchen Dai , Mengfan Liu , Zhichao Xi , Hongxi Xu
{"title":"Repurposing cardiac glycosides for anticancer treatment: a review of clinical studies","authors":"Wan Najbah Nik Nabil ,&nbsp;Rongchen Dai ,&nbsp;Mengfan Liu ,&nbsp;Zhichao Xi ,&nbsp;Hongxi Xu","doi":"10.1016/j.drudis.2024.104129","DOIUrl":"10.1016/j.drudis.2024.104129","url":null,"abstract":"<div><p>Cardiac glycosides (CGs), which are traditionally used for heart disease, show promise for cancer therapy. However, there is a lack of a comprehensive review of clinical studies in this area, and so far, CGs have not been widely integrated into clinical cancer treatment. This review covers clinical studies from the past five years, highlighting the potential of CGs to reduce cancer risk, enhance chemotherapy effectiveness, mitigate chemotherapy-induced side effects and improve quality of life. Future clinical trials should personalize the dosage of CGs, integrate molecular testing and investigate immunogenic cell death induction and the potential of CGs for treating bone cancer and metastasis. Optimizing the repurposing of CGs for anticancer treatment requires consideration of specific CGs, cancer types and concurrent medications.</p></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"29 10","pages":"Article 104129"},"PeriodicalIF":6.5,"publicationDate":"2024-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141887853","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
Multidisciplinary considerations for implementing Bayesian borrowing in basket trials 在篮子试验中实施贝叶斯借贷的多学科考虑因素。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2024-08-02 DOI: 10.1016/j.drudis.2024.104127
Kristine R. Broglio , Jenny E. Blau , Elizabeth A. Pilling , James M.S. Wason
{"title":"Multidisciplinary considerations for implementing Bayesian borrowing in basket trials","authors":"Kristine R. Broglio ,&nbsp;Jenny E. Blau ,&nbsp;Elizabeth A. Pilling ,&nbsp;James M.S. Wason","doi":"10.1016/j.drudis.2024.104127","DOIUrl":"10.1016/j.drudis.2024.104127","url":null,"abstract":"<div><p>Drug development has historically relied on phase I–III clinical trials including participants sharing the same disease. However, drug development has evolved as the discovery of mechanistic drivers of disease demonstrated that the same therapeutic target may provide benefits across different diseases. A basket trial condenses evaluation of one therapy among multiple related diseases into a single trial and presents an opportunity to borrow information across them rather than viewing each in isolation. Borrowing is a statistical tool but requires a foundation of clinical and therapeutic mechanistic justification. We review the Bayesian borrowing approach, including its assumptions, and provide a framework for how this approach can be evaluated for successful use in a basket trial for drug development.</p></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"29 9","pages":"Article 104127"},"PeriodicalIF":6.5,"publicationDate":"2024-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141887852","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
An overview of the development of pharmacotherapeutics targeting SARS-CoV-2 针对 SARS-CoV-2 的药物疗法开发概述。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2024-08-02 DOI: 10.1016/j.drudis.2024.104126
Tom Lucaj , Ian Hay , Amirreza Samarbakhsh , Mel Bedi , Arun K. Iyer , Navnath S. Gavande
{"title":"An overview of the development of pharmacotherapeutics targeting SARS-CoV-2","authors":"Tom Lucaj ,&nbsp;Ian Hay ,&nbsp;Amirreza Samarbakhsh ,&nbsp;Mel Bedi ,&nbsp;Arun K. Iyer ,&nbsp;Navnath S. Gavande","doi":"10.1016/j.drudis.2024.104126","DOIUrl":"10.1016/j.drudis.2024.104126","url":null,"abstract":"<div><p>Coronavirus disease 2019 (COVID-19) was declared a global pandemic in March 2020, which precipitated urgent public health responses. The causative agent, SARS-CoV-2, spreads primarily via respiratory droplets, necessitating precautions to mitigate transmission risks. Biopharmaceutical industries and academic institutions worldwide swiftly redirected their research endeavors towards developing therapeutic interventions, focusing on monoclonal antibodies, antiviral agents, and immunomodulatory therapies. The evolving body of evidence surrounding these treatments has prompted successive updates and revisions from the FDA, delineating the evolving landscape of COVID-19 therapeutics. This review comprehensively examines each treatment modality within the context of their developmental trajectories and regulatory approvals throughout the pandemic. Furthermore, it elucidates their mechanisms of action and presents clinical data underpinning their utility in combating the COVID-19 crisis.</p></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"29 9","pages":"Article 104126"},"PeriodicalIF":6.5,"publicationDate":"2024-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141887849","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
Deciphering immune responses: a comparative analysis of influenza vaccination platforms 解读免疫反应：流感疫苗接种平台的比较分析。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2024-08-02 DOI: 10.1016/j.drudis.2024.104125
Charles H. Jones, Teresa Hauguel, Marie Beitelshees, Michelle Davitt, Verna Welch, Kelly Lindert, Pirada Allen, Jane M. True, Mikael Dolsten
{"title":"Deciphering immune responses: a comparative analysis of influenza vaccination platforms","authors":"Charles H. Jones,&nbsp;Teresa Hauguel,&nbsp;Marie Beitelshees,&nbsp;Michelle Davitt,&nbsp;Verna Welch,&nbsp;Kelly Lindert,&nbsp;Pirada Allen,&nbsp;Jane M. True,&nbsp;Mikael Dolsten","doi":"10.1016/j.drudis.2024.104125","DOIUrl":"10.1016/j.drudis.2024.104125","url":null,"abstract":"<div><p>Influenza still poses a significant challenge due to its high mutation rates and the low effectiveness of traditional vaccines. At present, antibodies that neutralize the highly variable hemagglutinin antigen are a major driver of the observed variable protection. To decipher how influenza vaccines can be improved, an analysis of licensed vaccine platforms was conducted, contrasting the strengths and limitations of their different mechanisms of protection. Through this review, it is evident that these vaccines do not elicit the robust cellular immune response critical for protecting high-risk groups. Emerging platforms, such as RNA vaccines, that induce robust cellular responses that may be additive to the recognized mechanism of protection through hemagglutinin inhibition may overcome these constraints to provide broader, protective immunity. By combining both humoral and cellular responses, such platforms could help guide the future influenza vaccine development.</p></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"29 9","pages":"Article 104125"},"PeriodicalIF":6.5,"publicationDate":"2024-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1359644624002502/pdfft?md5=3e399cb0263bb20885a92f46d326ccaa&pid=1-s2.0-S1359644624002502-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141887851","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
The dual role of photodynamic therapy to treat cancer and microbial infection 光动力疗法在治疗癌症和微生物感染方面的双重作用。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2024-08-01 DOI: 10.1016/j.drudis.2024.104099
Farheen Akhtar, Lama Misba, Asad U Khan
{"title":"The dual role of photodynamic therapy to treat cancer and microbial infection","authors":"Farheen Akhtar,&nbsp;Lama Misba,&nbsp;Asad U Khan","doi":"10.1016/j.drudis.2024.104099","DOIUrl":"10.1016/j.drudis.2024.104099","url":null,"abstract":"<div><p>Photodynamic therapy (PDT) is a minimally invasive treatment showing promise against cancer and microbial infections. PDT targets tumor cells while sparing healthy tissue, reducing side effects. It induces immunogenic cell death, potentially stimulating antitumor immune responses and reducing cancer recurrence. In microbial treatment, PDT effectively combats bacteria, fungi and viruses. Combining PDT with chemotherapy, radiotherapy and immunotherapy enhances its efficacy. However, challenges such as tumor hypoxia, limited tissue penetration and phototoxicity necessitate ongoing research efforts to optimize PDT protocols and overcome limitations. Overall, PDT is versatile and continually advancing with refined protocols to improve its clinical utility against cancer and microbial infections.</p></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"29 8","pages":"Article 104099"},"PeriodicalIF":6.5,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141602963","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 cancer using scaffold-hopping approaches: illuminating SAR to improve drug design 利用支架跳转方法靶向癌症：阐明 SAR 以改进药物设计。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2024-07-26 DOI: 10.1016/j.drudis.2024.104115
Shivani, Abdul Rahaman T.A., Sandeep Chaudhary
{"title":"Targeting cancer using scaffold-hopping approaches: illuminating SAR to improve drug design","authors":"Shivani,&nbsp;Abdul Rahaman T.A.,&nbsp;Sandeep Chaudhary","doi":"10.1016/j.drudis.2024.104115","DOIUrl":"10.1016/j.drudis.2024.104115","url":null,"abstract":"<div><p>Scaffold hopping is a design approach involving alterations to the core structure of an already bioactive scaffold to generate novel molecules to discover bioactive hit compounds with innovative core structures. Scaffold hopping enhances selectivity and potency while maintaining physicochemical, pharmacodynamic (PD), and pharmacokinetic (PK) properties, including toxicity parameters. Numerous molecules have been designed based on a scaffold-hopping strategy that showed potent inhibition activity against multiple targets for the diverse types of malignancy. In this review, we critically discuss recent applications of scaffold hopping along with essential components of medicinal chemistry, such as structure–activity relationship (SAR) profiles. Moreover, we shed light on the limitations and challenges associated with scaffold hopping-based anticancer drug discovery.</p></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"29 9","pages":"Article 104115"},"PeriodicalIF":6.5,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141786672","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
New developments in celiac disease treatments 乳糜泻治疗的新进展。
IF 6.5 2区 医学
Drug Discovery Today Pub Date : 2024-07-25 DOI: 10.1016/j.drudis.2024.104113
Franziska Buriánek, Christian Gege, Petar Marinković
{"title":"New developments in celiac disease treatments","authors":"Franziska Buriánek,&nbsp;Christian Gege,&nbsp;Petar Marinković","doi":"10.1016/j.drudis.2024.104113","DOIUrl":"10.1016/j.drudis.2024.104113","url":null,"abstract":"<div><p>Celiac disease (CeD), an autoimmune disorder triggered by gluten, affects around 1% of the global population. Standard treatment is a strict gluten-free diet (GFD), which poses significant challenges due to dietary restrictions, cross-contamination and subsequent persistent intestinal inflammation. This underscores the need for new treatment options addressing the complex pathophysiology of CeD. Recent research focuses on developing drugs that target intestinal barrier regeneration, gluten peptide modification, immune response alteration, and gut microbial ecosystem modulation. These approaches offer potential for more effective management of CeD beyond GFD. Gluten-independent treatments may be particularly relevant under the FDA’s draft guidance for CeD, which emphasizes drug development as an adjunct to GFD for patients with ongoing signs and symptoms of CeD despite strict GFD.</p></div>","PeriodicalId":301,"journal":{"name":"Drug Discovery Today","volume":"29 9","pages":"Article 104113"},"PeriodicalIF":6.5,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1359644624002381/pdfft?md5=3007a6c30dbcd56a950322b7c975de32&pid=1-s2.0-S1359644624002381-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141786671","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
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