Journal of Drug Targeting最新文献_第4页

Ferroptosis-targeting drugs in breast cancer. 乳腺癌中的铁蛋白沉积靶向药物

IF 4.3 4区医学

Journal of Drug Targeting Pub Date : 2025-01-01 Epub Date: 2024-09-05 DOI: 10.1080/1061186X.2024.2399181

Shuxian Zhang, Lijuan Guo, Ran Tao, Shuangping Liu

{"title":"Ferroptosis-targeting drugs in breast cancer.","authors":"Shuxian Zhang, Lijuan Guo, Ran Tao, Shuangping Liu","doi":"10.1080/1061186X.2024.2399181","DOIUrl":"10.1080/1061186X.2024.2399181","url":null,"abstract":"In 2020, breast cancer surpassed lung cancer as the most common cancer in the world for the first time. Due to the resistance of some breast cancer cell lines to apoptosis, the therapeutic effect of anti-breast cancer drugs is limited. According to recent report, the susceptibility of breast cancer cells to ferroptosis affects the progress, prognosis and drug resistance of breast cancer. For instance, roblitinib induces ferroptosis of trastuzumab-resistant human epidermal growth factor receptor 2 (HER2)-positive breast cancer cells by diminishing fibroblast growth factor receptor 4 (FGFR4) expression, thereby augmenting the susceptibility of these cells to HER2-targeted therapies. In tamoxifen-resistant breast cancer cells, Fascin exacerbates their resistance by repressing solute carrier family 7 member 11 (SLC7A11) expression, which in turn heightens their responsiveness to tamoxifen. In recent years, Chinese herbs extracts and therapeutic drugs have been demonstrated to elicit ferroptosis in breast cancer cells by modulating a spectrum of regulatory factors pertinent to ferroptosis, including SLC7A11, glutathione peroxidase 4 (GPX4), acyl-CoA synthetase long chain family member 4 (ACSL4), and haem oxygenase 1 (HO-1). Here, we review the roles and mechanisms of Chinese herbal extracts and therapeutic drugs in regulating ferroptosis in breast cancer, providing potential therapeutic options for anti-breast cancer.","PeriodicalId":15573,"journal":{"name":"Journal of Drug Targeting","volume":" ","pages":"42-59"},"PeriodicalIF":4.3,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142119977","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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 nanomedicine for retinal drug delivery: overcoming barriers and enhancing therapeutic outcomes. 视网膜给药纳米医学研究进展：克服障碍，提高治疗效果。

IF 4.3 4区医学

Journal of Drug Targeting Pub Date : 2024-12-27 DOI: 10.1080/1061186X.2024.2443144

Pratikeswar Panda, Shreyashree Mohanty, Sangita Ranee Gouda, Rajaram Mohapatra

{"title":"Advances in nanomedicine for retinal drug delivery: overcoming barriers and enhancing therapeutic outcomes.","authors":"Pratikeswar Panda, Shreyashree Mohanty, Sangita Ranee Gouda, Rajaram Mohapatra","doi":"10.1080/1061186X.2024.2443144","DOIUrl":"10.1080/1061186X.2024.2443144","url":null,"abstract":"Nanomedicine offers a promising avenue for improving retinal drug delivery, effectively addressing challenges associated with ocular diseases like age-related macular degeneration and diabetic retinopathy. Nanoparticles, with their submicron size and customisable surface properties, enable enhanced permeability and retention within retinal tissues, supporting sustained drug release and minimising systemic side effects. Nanostructured scaffolds further provide a supportive environment for retinal cell growth and tissue regeneration, crucial for treating degenerative conditions. Additionally, advanced nanodevices facilitate real-time monitoring and controlled drug release, marking significant progress in retinal therapy. This study reviews recent advancements in nanomedicine for retinal drug delivery, critically analysing design innovations, therapeutic benefits, and limitations of these systems. By advancing nanotechnology integration in ocular therapies, this field holds strong potential for overcoming current barriers, ultimately improving patient outcomes and quality of life.","PeriodicalId":15573,"journal":{"name":"Journal of Drug Targeting","volume":" ","pages":"1-25"},"PeriodicalIF":4.3,"publicationDate":"2024-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142854360","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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 state-of-the-art review of the recent advances in drug delivery systems for different therapeutic agents in periodontitis. 牙周炎不同治疗药物输送系统的最新进展综述。

IF 4.3 4区医学

Journal of Drug Targeting Pub Date : 2024-12-27 DOI: 10.1080/1061186X.2024.2445051

Mehrnaz Fayazi, Mitra Rostami, Masoud Amiri Moghaddam, Kamyar Nasiri, Azadeh Tadayonfard, Mohammadreza Behnam Roudsari, Hani Moslem Ahmad, Zahra Parhizgar, Amirhossein Majbouri Yazdi

{"title":"A state-of-the-art review of the recent advances in drug delivery systems for different therapeutic agents in periodontitis.","authors":"Mehrnaz Fayazi, Mitra Rostami, Masoud Amiri Moghaddam, Kamyar Nasiri, Azadeh Tadayonfard, Mohammadreza Behnam Roudsari, Hani Moslem Ahmad, Zahra Parhizgar, Amirhossein Majbouri Yazdi","doi":"10.1080/1061186X.2024.2445051","DOIUrl":"10.1080/1061186X.2024.2445051","url":null,"abstract":"Periodontitis (PD) is a chronic gum illness that may be hard to cure for a number of reasons, including the fact that no one knows what causes it, the side effects of anti-microbial treatment, and how various kinds of bacteria interact with one another. As a result, novel therapeutic approaches for PD treatment must be developed. Additionally, supplementary antibacterial regimens, including local and systemic medication administration of chemical agents, are necessary for deep pockets to assist with mechanical debridement of tooth surfaces. As our knowledge of periodontal disease and drug delivery systems (DDSs) grows, new targeted delivery systems like extracellular vesicles, lipid-based nanoparticles (NPs), metallic NPs, and polymer NPs have been developed. These systems aim to improve the targeting and precision of PD treatments while reducing the systemic side effects of antibiotics. Nanozymes, photodermal therapy, antibacterial metallic NPs, and traditional PD therapies have all been reviewed in this research. Medicinal herbs, antibiotics, photothermal therapy, nanozymes, antibacterial metallic NPs, and conventional therapies for PD have all been examined in this research. After that, we reviewed the key features of many innovative DDSs and how they worked for PD therapy. Finally, we have discussed the advantages and disadvantages of these DDSs.","PeriodicalId":15573,"journal":{"name":"Journal of Drug Targeting","volume":" ","pages":"1-36"},"PeriodicalIF":4.3,"publicationDate":"2024-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142854357","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

SIRT1: a potential therapeutic target for coronary heart disease combined with anxiety or depression. SIRT1：冠心病合并焦虑或抑郁的潜在治疗靶点

IF 4.3 4区医学

Journal of Drug Targeting Pub Date : 2024-12-23 DOI: 10.1080/1061186X.2024.2422882

Hubin Yu, Xinping Li, Bo Ning, Lanshuan Feng, Yaolong Ren, Shilin Li, Yalong Kang, Jing Ma, Mingjun Zhao

{"title":"SIRT1: a potential therapeutic target for coronary heart disease combined with anxiety or depression.","authors":"Hubin Yu, Xinping Li, Bo Ning, Lanshuan Feng, Yaolong Ren, Shilin Li, Yalong Kang, Jing Ma, Mingjun Zhao","doi":"10.1080/1061186X.2024.2422882","DOIUrl":"10.1080/1061186X.2024.2422882","url":null,"abstract":"Coronary heart disease (CHD) combined with anxiety or depression is increasingly receiving attention in the clinical field of cardiology, and exploring the comorbidity pathological mechanisms of cardiovascular disease combined with psychological disorders is a hot research topic for scholars in this field. Current research suggests that Silent Information Regulatory Factor 1 (SIRT1) may serve as a potential biomarker for the comorbidity mechanism and treatment of CHD with anxiety or depression. SIRT1 is considered a promising therapeutic target for CHD combined with anxiety or depression, with the ability to regulate inflammatory cytokine levels, alleviate oxidative stress damage, activate multiple signalling pathways, reduce platelet hyperresponsiveness, and exert neuroprotective and cardioprotective effects. In this comprehensive review, we deeply studied the structure, function, and mechanism of SIRT1, and discussed its protective effects in the cardiovascular and nervous system. The latest progress in the mechanism of SIRT1's role in CHD combined with anxiety or depression was emphasised, including its specific mechanisms in regulating inflammatory response, alleviating oxidative stress, and mediating various signalling pathways. In addition, this article also summarises the therapeutic potential of SIRT1 as a potential biomarker in patients with CHD combined with anxiety or depression.","PeriodicalId":15573,"journal":{"name":"Journal of Drug Targeting","volume":" ","pages":"1-13"},"PeriodicalIF":4.3,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142521969","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Decoding the complex web: Cellular and molecular interactions in the lung tumor microenvironment. 解码复杂的网络：肺肿瘤微环境中的细胞和分子相互作用。

IF 4.3 4区医学

Journal of Drug Targeting Pub Date : 2024-12-21 DOI: 10.1080/1061186X.2024.2445772

Bahjat Saeed Issa, Ayat Hussein Adhab, Morug Salih Mahdi, Ashishkumar Kyada, Subbulakshmi Ganesan, Deepak Bhanot, K Satyam Naidu, Sharnjeet Kaur, Aseel Salah Mansoor, Usama Kadem Radi, Nasr Saadoun Abd, Muthena Kariem

{"title":"Decoding the complex web: Cellular and molecular interactions in the lung tumor microenvironment.","authors":"Bahjat Saeed Issa, Ayat Hussein Adhab, Morug Salih Mahdi, Ashishkumar Kyada, Subbulakshmi Ganesan, Deepak Bhanot, K Satyam Naidu, Sharnjeet Kaur, Aseel Salah Mansoor, Usama Kadem Radi, Nasr Saadoun Abd, Muthena Kariem","doi":"10.1080/1061186X.2024.2445772","DOIUrl":"https://doi.org/10.1080/1061186X.2024.2445772","url":null,"abstract":"The lung tumor microenvironment (TME) or stroma is a dynamic space of numerous cells and their released molecules. This complicated web regulates tumor progression and resistance to different modalities. Lung cancer cells in conjunction with their stroma liberate a wide range of factors that dampen antitumor attacks by innate immunity cells like natural killer (NK) cells and also adaptive responses by effector T cells. These factors include numerous growth factors, exosomes and epigenetic regulators, and also anti-inflammatory cytokines. Understanding the intricate interactions between tumor cells and various elements within the lung TME, such as immune and stromal cells can help provide novel strategies for better management and treatment of lung malignancies. The current article discusses the complex network of cells and signaling molecules, which mediate communications in lung TME. By elucidating these multifaceted interactions, we aim to provide insights into potential therapeutic targets and strategies for lung cancer treatment.","PeriodicalId":15573,"journal":{"name":"Journal of Drug Targeting","volume":" ","pages":"1-44"},"PeriodicalIF":4.3,"publicationDate":"2024-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142870843","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Isoform-specific vs. isoform-universal drug targeting: a new targeting paradigm illustrated by new anti-ICAM-1 antibodies. 亚型特异性与亚型通用药物靶向：新的抗icam -1抗体说明的新的靶向范式。

IF 4.3 4区医学

Journal of Drug Targeting Pub Date : 2024-12-17 DOI: 10.1080/1061186X.2024.2438884

Marco Vigo, Marina Placci, Silvia Muro

{"title":"Isoform-specific vs. isoform-universal drug targeting: a new targeting paradigm illustrated by new anti-ICAM-1 antibodies.","authors":"Marco Vigo, Marina Placci, Silvia Muro","doi":"10.1080/1061186X.2024.2438884","DOIUrl":"10.1080/1061186X.2024.2438884","url":null,"abstract":"Drug targeting can be achieved by coupling drugs or their carriers to affinity molecules, mostly antibodies (Abs), which recognise specific protein targets. However, most proteins are not expressed in an exclusive configuration but as various isoforms. Hence, selected targeting molecules may fail to target with enough efficiency in clinical trials, which is overlooked. We illustrate this by targeting intercellular adhesion molecule 1 (ICAM-1), a cell-surface protein overexpressed in many pathologies. Most ICAM-1 targeting studies used Ab R6.5, which binds ICAM-1 domain 2 (D2). Yet, literature and our data show that D2 is frequently absent among ICAM-1 isoforms. We thus produced a battery of five new Abs (B4, B6, B11, C12 and G2) and tested their ability to recognise both full-length and -D2 ICAM-1. In solution, all Abs recognised both ICAM-1 forms (from 5.3 × 1011 to 4.2 × 1012 sum intensity/well). Coating them on nanocarriers (NCs) rendered G2 specific against -D2 ICAM-1 (4.2 × 106 NCs/well) while other Abs kept their dual recognition (from 6.4 × 106 to 2.2 × 107 NCs/well). All Abs induced NC intracellular uptake in respective cells (from 42% to 85%) and displayed good cross-species reactivity (from 4.4 × 1011 to 2.6 × 1012 sum intensity/well). These Abs represent valuable tools to target ICAM-1 and illustrate a new targeting paradigm that may improve classical strategies.","PeriodicalId":15573,"journal":{"name":"Journal of Drug Targeting","volume":" ","pages":"1-13"},"PeriodicalIF":4.3,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142785824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

siRNA targeting PARP-1 alleviates diabetic peripheral neuropathy in a streptozotocin-induced rat model. 靶向 PARP-1 的 siRNA 可缓解链脲佐菌素诱导的大鼠模型中的糖尿病周围神经病变

IF 4.3 4区医学

Journal of Drug Targeting Pub Date : 2024-12-16 DOI: 10.1080/1061186X.2024.2431316

Moqbel Ali Moqbel Redhwan, Hariprasad M G, Suman Samaddar, Duaa Bafail, Sumaia Abdulbari Ahmed Ali Hard, Sourav Guha, Apurwa Dhavale

{"title":"siRNA targeting PARP-1 alleviates diabetic peripheral neuropathy in a streptozotocin-induced rat model.","authors":"Moqbel Ali Moqbel Redhwan, Hariprasad M G, Suman Samaddar, Duaa Bafail, Sumaia Abdulbari Ahmed Ali Hard, Sourav Guha, Apurwa Dhavale","doi":"10.1080/1061186X.2024.2431316","DOIUrl":"10.1080/1061186X.2024.2431316","url":null,"abstract":"Diabetic peripheral neuropathy (DPN) is a debilitating complication of diabetes mellitus, affecting nearly 50% of diabetic patients and leading to chronic pain, numbness and progressive sensory and motor function loss. This study investigates the potential of siRNA-mediated silencing of poly(ADP-ribose) polymerase 1 (PARP1) to alleviate DPN in a rat model. PARP1 overactivation, driven by hyperglycaemia-induced oxidative stress, exacerbates neuronal damage in DPN. Using chitosan nanoparticles (ChNPs) to deliver PARP1-targeting siRNA intrathecally in diabetic rats induced with streptozotocin (STZ) 55 mg/kg intraperitoneally, we conducted behavioural and physiological assessments, including Sciatic Functional Index (SFI), motor nerve conduction velocity (MNCV), grip strength and pain sensitivity tests, alongside qRT-PCR analyses, to evaluate therapeutic outcomes. Our findings indicate statistically significant improvements, with siRNA ChNPs-mediated PARP1 silencing alleviating neuropathic symptoms in DPN rats (p < .001 for SFI and MNCV improvements). Biochemical analyses revealed reductions in oxidative stress markers, such as MDA, and increased antioxidant levels, including GSH, CAT and SOD (p < .001). Pro-inflammatory cytokines and apoptotic markers, including NF-κB, IL6, IL1β, TNFa, TGF-β, CAS3, CAS9, BAK and BAX, also showed significant reductions (p < .01), confirming the neuroprotective effects of PARP1 inhibition. These results highlight the potential of siRNA-based therapies targeting PARP1 as a promising therapeutic approach for DPN, paving the way for future research with clinical applications.","PeriodicalId":15573,"journal":{"name":"Journal of Drug Targeting","volume":" ","pages":"1-12"},"PeriodicalIF":4.3,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142675065","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Mitochondrial-targeted liposome-based drug delivery - therapeutic potential and challenges. 线粒体靶向脂质体给药-治疗潜力和挑战。

IF 4.3 4区医学

Journal of Drug Targeting Pub Date : 2024-12-08 DOI: 10.1080/1061186X.2024.2437440

Lissette Sanchez-Aranguren, Mohamad Anas Al Tahan, Muhammad Uppal, Parag Juvale, Mandeep Kaur Marwah

{"title":"Mitochondrial-targeted liposome-based drug delivery - therapeutic potential and challenges.","authors":"Lissette Sanchez-Aranguren, Mohamad Anas Al Tahan, Muhammad Uppal, Parag Juvale, Mandeep Kaur Marwah","doi":"10.1080/1061186X.2024.2437440","DOIUrl":"10.1080/1061186X.2024.2437440","url":null,"abstract":"Liposomes, as nanocarriers for therapeutics, are a prominent focus in translational medicine. Given their biocompatibility, liposomes are suitable drug delivery systems rendering highly efficient therapeutic outcomes with minimal off-site toxicity. In different scenarios of human disease, it is essential not only to maintain therapeutic drug levels but also to target them to the appropriate intracellular compartment. Mitochondria regulate cellular signalling, calcium balance, and energy production, playing a crucial role in various human diseases. The notion of focusing on mitochondria for targeted drug delivery was proposed several decades ago, yet the practical application of this idea and its translation to clinical use is still in development. Mitochondrial-targeted liposomes offer an alternative to standard drug delivery systems, potentially reducing off-target interactions, side effects, and drug dosage or frequency. To advance this field, it is imperative to integrate various disciplines such as efficient chemical design, pharmacology, pharmaceutics, and cell biology. This review summarises scientific advances in the design, development and characterisation of novel liposome-based drug delivery systems targeting the mitochondria while revisiting their translational potential.","PeriodicalId":15573,"journal":{"name":"Journal of Drug Targeting","volume":" ","pages":"1-12"},"PeriodicalIF":4.3,"publicationDate":"2024-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142769220","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Synergistic cancer treatment using porphyrin-based metal-organic Frameworks for photodynamic and photothermal therapy. 利用卟啉基金属有机框架进行光动力和光热治疗的协同癌症治疗。

IF 4.3 4区医学

Journal of Drug Targeting Pub Date : 2024-12-02 DOI: 10.1080/1061186X.2024.2433551

Mahsa Akbari Oryani, Mojtaba Tarin, Leila Rahnama Araghi, Farangis Rastin, Hossein Javid, Alireza Hashemzadeh, Mehdi Karimi-Shahri

{"title":"Synergistic cancer treatment using porphyrin-based metal-organic Frameworks for photodynamic and photothermal therapy.","authors":"Mahsa Akbari Oryani, Mojtaba Tarin, Leila Rahnama Araghi, Farangis Rastin, Hossein Javid, Alireza Hashemzadeh, Mehdi Karimi-Shahri","doi":"10.1080/1061186X.2024.2433551","DOIUrl":"https://doi.org/10.1080/1061186X.2024.2433551","url":null,"abstract":"Recent advancements in multifunctional nanomaterials for cancer therapy have highlighted porphyrin-based metal-organic frameworks (MOFs) as promising candidates due to their unique properties and versatile applications. This overview focuses on the use of porphyrin-based MOFs for combined photodynamic therapy (PDT) and photothermal therapy (PTT) in cancer treatment. Porphyrin-based MOFs offer high porosity, tuneable structures, and excellent stability, making them ideal for drug delivery and therapeutic applications. The incorporation of porphyrin molecules into the MOF framework enhances light absorption and energy transfer, leading to improved photodynamic and photothermal effects. Additionally, the porosity of MOFs allows for the encapsulation of therapeutic agents, further enhancing efficacy. In PDT, porphyrin-based MOFs generate reactive oxygen species (ROS) upon light activation, destroying cancer cells. The photothermal properties enable the conversion of light energy into heat, resulting in localised hyperthermia and tumour ablation. The combination of PDT and PTT in a single platform offers synergistic effects, leading to better therapeutic outcomes, reduced side effects, and improved selectivity. This dual-modal treatment strategy provides precise spatiotemporal control over the treatment process, paving the way for next-generation therapeutics with enhanced efficacy and reduced side effects. Further research and optimisation are needed for clinical applications.","PeriodicalId":15573,"journal":{"name":"Journal of Drug Targeting","volume":" ","pages":"1-19"},"PeriodicalIF":4.3,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142769227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Artificial intelligence-based molecular property prediction of photosensitising effects of drugs. 基于人工智能的药物光敏效应分子性质预测。

IF 4.3 4区医学

Journal of Drug Targeting Pub Date : 2024-12-02 DOI: 10.1080/1061186X.2024.2434911

Amun G Hofmann, Benedikt Weber, Sally Ibbotson, Asan Agibetov

{"title":"Artificial intelligence-based molecular property prediction of photosensitising effects of drugs.","authors":"Amun G Hofmann, Benedikt Weber, Sally Ibbotson, Asan Agibetov","doi":"10.1080/1061186X.2024.2434911","DOIUrl":"https://doi.org/10.1080/1061186X.2024.2434911","url":null,"abstract":"Drug-induced photosensitivity is a potential adverse event of many drugs and chemicals used across a wide range of specialties in clinical medicine. In the present study, we investigated the feasibility of predicting the photosensitising effects of drugs and chemical compounds via state-of-the-art artificial intelligence-based workflows. A dataset of 2200 drugs was used to train three distinct models (logistic regression, XGBoost and a deep learning model (Chemprop)) to predict photosensitising attributes. Labels were obtained from a list of previously published photosensitisers by string matching and manual validation. External evaluation of the different models was performed using the tox21 dataset. ROC-AUC ranged between 0.8939 (Chemprop) and 0.9525 (XGBoost) during training, while in the test partition it ranged between 0.7785 (Chemprop) and 0.7927 (XGBoost). Analysis of the top 200 compounds of each model resulted in 55 overlapping molecules in the external validation set. Prediction scores in fluoroquinolones within this subset corresponded well with culprit substructures such as fluorinated aryl halides suspected of mediating photosensitising effects. All three models appeared capable of predicting photosensitising effects of chemical compounds. However, compared to the simpler model, the complex models appeared to be more confident in their predictions as exhibited by their distribution of prediction scores.","PeriodicalId":15573,"journal":{"name":"Journal of Drug Targeting","volume":" ","pages":"1-6"},"PeriodicalIF":4.3,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142769291","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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