Current Research in Translational Medicine最新文献

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Acute-onset chronic inflammatory demyelinating polyneuropathy in a 23-year-old male exacerbated by an asymptomatic COVID-19 infection
IF 3.2 4区 医学
Current Research in Translational Medicine Pub Date : 2025-03-31 DOI: 10.1016/j.retram.2025.103511
Sawsan Ismail , Aiman Abo Al shamat , Ali Ghalion , Hanafi Alyman Hannouf , Tamim Alsuliman , Kanaan Al-Tameemi
{"title":"Acute-onset chronic inflammatory demyelinating polyneuropathy in a 23-year-old male exacerbated by an asymptomatic COVID-19 infection","authors":"Sawsan Ismail , Aiman Abo Al shamat , Ali Ghalion , Hanafi Alyman Hannouf , Tamim Alsuliman , Kanaan Al-Tameemi","doi":"10.1016/j.retram.2025.103511","DOIUrl":"10.1016/j.retram.2025.103511","url":null,"abstract":"","PeriodicalId":54260,"journal":{"name":"Current Research in Translational Medicine","volume":"73 3","pages":"Article 103511"},"PeriodicalIF":3.2,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143785894","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
The vaso-occlusive pain crisis in sickle cell patients: A focus on pathogenesis
IF 3.2 4区 医学
Current Research in Translational Medicine Pub Date : 2025-03-29 DOI: 10.1016/j.retram.2025.103512
Fatemeh Javaherforoosh Zadeh , Azadeh Fateh , Hamed Saffari , Mohammadtaghi Khodadadi , Mohammadamin Eslami Samarian , Nasim Nikoubakht , Fatemeh Dadgar , Vahid Goodarzi
{"title":"The vaso-occlusive pain crisis in sickle cell patients: A focus on pathogenesis","authors":"Fatemeh Javaherforoosh Zadeh ,&nbsp;Azadeh Fateh ,&nbsp;Hamed Saffari ,&nbsp;Mohammadtaghi Khodadadi ,&nbsp;Mohammadamin Eslami Samarian ,&nbsp;Nasim Nikoubakht ,&nbsp;Fatemeh Dadgar ,&nbsp;Vahid Goodarzi","doi":"10.1016/j.retram.2025.103512","DOIUrl":"10.1016/j.retram.2025.103512","url":null,"abstract":"<div><div>Vaso-occlusive pain crisis (VOC) is recognized as a prominent complication of sickle cell disease, accompanied by debilitating pain and serious consequences for patients, making it the primary cause of visits to hospital emergency departments. In the etiology of VOC, the intricate interaction of endothelial cells, hypoxia, inflammation, and the coagulation system is pivotal. Hemoglobin S polymerization under hypoxic conditions leads to the formation of rigid and adhesive red blood cells that interact with vascular endothelial cells and other blood cells, causing occlusion and subsequent inflammation. Hemolysis of red blood cells results in anemia and heightened inflammation, whereas oxidative stress and involvement of the coagulation system further complicate matters. In this review, we strive to examine the pathophysiology of VOC from these mentioned aspects by consolidating findings from various studies, as a comprehensive understanding of the causes of VOC is essential for the development of targeted therapeutic interventions and the prevention and management of pain, ultimately improving the quality of life for patients.</div></div>","PeriodicalId":54260,"journal":{"name":"Current Research in Translational Medicine","volume":"73 3","pages":"Article 103512"},"PeriodicalIF":3.2,"publicationDate":"2025-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143815694","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
Pneumonia definition in allogeneic hematopoietic cell transplant recipients: Update and challenges in 2024. Recommendations from the EBMT Infectious Diseases Working Party and Practice Harmonization and Guidelines committee
IF 3.2 4区 医学
Current Research in Translational Medicine Pub Date : 2025-03-20 DOI: 10.1016/j.retram.2025.103509
Dionysios Neofytos , Paul E. Verweij , Dina Averbuch , Malgorzata Mikulska , Jan Styczynski , José Luis Piñana , Simone Cesaro , Isabel Sanchez-Ortega , Raffaella Greco , Francesco Onida , Ibrahim Yakoub-Agha , Per Ljungman , Camara Rafael de la , Anne Bergeron
{"title":"Pneumonia definition in allogeneic hematopoietic cell transplant recipients: Update and challenges in 2024. Recommendations from the EBMT Infectious Diseases Working Party and Practice Harmonization and Guidelines committee","authors":"Dionysios Neofytos ,&nbsp;Paul E. Verweij ,&nbsp;Dina Averbuch ,&nbsp;Malgorzata Mikulska ,&nbsp;Jan Styczynski ,&nbsp;José Luis Piñana ,&nbsp;Simone Cesaro ,&nbsp;Isabel Sanchez-Ortega ,&nbsp;Raffaella Greco ,&nbsp;Francesco Onida ,&nbsp;Ibrahim Yakoub-Agha ,&nbsp;Per Ljungman ,&nbsp;Camara Rafael de la ,&nbsp;Anne Bergeron","doi":"10.1016/j.retram.2025.103509","DOIUrl":"10.1016/j.retram.2025.103509","url":null,"abstract":"<div><div>To optimize and homogenize data on infectious diseases complications, the Infectious Diseases Working Party of the European Society for Blood and Marrow Transplantation (IDWP EBMT) participated in the 2023 EBMT international workshop focusing on the standardization of the definition of specific infections, including respiratory infections [1]. This is pertinent considering that a new software for data collection, including data on post-transplant infectious disease complications, was launched in 2023 and which will remain the main tool for future epidemiological studies. In this report, we briefly discuss our proposals for pneumonia definition, predominately focusing on bacterial and fungal pneumonias. We specifically address definitions of pneumonia diagnosis, infection onset date, resolution, recurrence, and breakthrough infection, and the challenges we encountered as a group to accurately define pneumonia in hematopoietic cell transplant (HCT) recipients (Table 1). Infections with community acquired respiratory viruses and adenovirus are discussed in a separate report [1]. Definitions on CMV pneumonia have been previously described and recently updated and hence not discussed in this paper [2,3].</div></div>","PeriodicalId":54260,"journal":{"name":"Current Research in Translational Medicine","volume":"73 3","pages":"Article 103509"},"PeriodicalIF":3.2,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143714918","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
A complex clinical presentation of ultra-high risk acute promyelocytic leukemia: A case report and insights on management
IF 3.2 4区 医学
Current Research in Translational Medicine Pub Date : 2025-03-18 DOI: 10.1016/j.retram.2025.103506
Lucrezia De Marchi , Giovangiacinto Paterno , Kristian Taka , Laura Giannì , Giulia Colafranceschi , Tiziana Ottone , Manuela Rizzo , Mariadomenica Divona , Raffaele Palmieri , Francesco Buccisano , Luca Maurillo , Maria Ilaria Del Principe , Maria Teresa Voso , Carmelo Gurnari , Adriano Venditti
{"title":"A complex clinical presentation of ultra-high risk acute promyelocytic leukemia: A case report and insights on management","authors":"Lucrezia De Marchi ,&nbsp;Giovangiacinto Paterno ,&nbsp;Kristian Taka ,&nbsp;Laura Giannì ,&nbsp;Giulia Colafranceschi ,&nbsp;Tiziana Ottone ,&nbsp;Manuela Rizzo ,&nbsp;Mariadomenica Divona ,&nbsp;Raffaele Palmieri ,&nbsp;Francesco Buccisano ,&nbsp;Luca Maurillo ,&nbsp;Maria Ilaria Del Principe ,&nbsp;Maria Teresa Voso ,&nbsp;Carmelo Gurnari ,&nbsp;Adriano Venditti","doi":"10.1016/j.retram.2025.103506","DOIUrl":"10.1016/j.retram.2025.103506","url":null,"abstract":"","PeriodicalId":54260,"journal":{"name":"Current Research in Translational Medicine","volume":"73 3","pages":"Article 103506"},"PeriodicalIF":3.2,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143642346","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
Using machine learning to predict Hemophilia A severity
IF 3.2 4区 医学
Current Research in Translational Medicine Pub Date : 2025-03-17 DOI: 10.1016/j.retram.2025.103508
Daniel de Almeida Duque , Débora Dummer Meira , Lorena Souza Castro Altoé , Matheus Correia Casotti , Tiago José da Silva Lopes , Iuri Drumond Louro , Flávio Miguel Varejão
{"title":"Using machine learning to predict Hemophilia A severity","authors":"Daniel de Almeida Duque ,&nbsp;Débora Dummer Meira ,&nbsp;Lorena Souza Castro Altoé ,&nbsp;Matheus Correia Casotti ,&nbsp;Tiago José da Silva Lopes ,&nbsp;Iuri Drumond Louro ,&nbsp;Flávio Miguel Varejão","doi":"10.1016/j.retram.2025.103508","DOIUrl":"10.1016/j.retram.2025.103508","url":null,"abstract":"<div><div>Hemophilia A is a rare genetic condition that predominantly affects men and is characterized by a deficiency in Factor VIII clotting (FVIII). This research focuses on the development of a classification model to predict the severity of Hemophilia A, using data from point mutations in the FVIII protein. The study employs a variety of classification models, including RandomForest, XGBoost, and LightGBM, and performs a robust analysis of the data to select the most relevant features. The final model achieved an accuracy of 65.5 %, demonstrating significant performance against a simple gaussian naive bayes model that achieves 51.1 % of accuracy. Although the model cannot yet replace the FVIII measurement test in the blood for diagnostic purposes, the results represent a significant advance in Hemophilia A research. This work provides data analysis that deepens the understanding of the characteristics of the FVIII protein and contributes to the development of models capable of classifying the severity of this condition into its three possible classes: mild, moderate, or severe.</div></div>","PeriodicalId":54260,"journal":{"name":"Current Research in Translational Medicine","volume":"73 3","pages":"Article 103508"},"PeriodicalIF":3.2,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143681477","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
VEXAS associated acute disseminated Encephalo-Myelitis (ADEM)-like syndrome: A case report and review of the literature
IF 3.2 4区 医学
Current Research in Translational Medicine Pub Date : 2025-03-09 DOI: 10.1016/j.retram.2025.103505
Gregorio Maria Bergonzi , Corrado Campochiaro , Alessandro Tomelleri , Anna Del Poggio , Raffaello Bonacchi , Laura Ferré , Giulia Furnari , Costanza Piccolo , Gianluca Scorpio , Fabio Ciceri , Lorenzo Dagna , Massimo Filippi , Elisa Diral
{"title":"VEXAS associated acute disseminated Encephalo-Myelitis (ADEM)-like syndrome: A case report and review of the literature","authors":"Gregorio Maria Bergonzi ,&nbsp;Corrado Campochiaro ,&nbsp;Alessandro Tomelleri ,&nbsp;Anna Del Poggio ,&nbsp;Raffaello Bonacchi ,&nbsp;Laura Ferré ,&nbsp;Giulia Furnari ,&nbsp;Costanza Piccolo ,&nbsp;Gianluca Scorpio ,&nbsp;Fabio Ciceri ,&nbsp;Lorenzo Dagna ,&nbsp;Massimo Filippi ,&nbsp;Elisa Diral","doi":"10.1016/j.retram.2025.103505","DOIUrl":"10.1016/j.retram.2025.103505","url":null,"abstract":"","PeriodicalId":54260,"journal":{"name":"Current Research in Translational Medicine","volume":"73 3","pages":"Article 103505"},"PeriodicalIF":3.2,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143619118","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
Variability in expression of homeobox genes (HOXA9) and (HOXA7) in acute myeloid leukemia patients
IF 3.2 4区 医学
Current Research in Translational Medicine Pub Date : 2025-03-04 DOI: 10.1016/j.retram.2025.103503
Zainab Tallima , Dalia Ibraheem , Manal Wilson , Sally Elfishawi
{"title":"Variability in expression of homeobox genes (HOXA9) and (HOXA7) in acute myeloid leukemia patients","authors":"Zainab Tallima ,&nbsp;Dalia Ibraheem ,&nbsp;Manal Wilson ,&nbsp;Sally Elfishawi","doi":"10.1016/j.retram.2025.103503","DOIUrl":"10.1016/j.retram.2025.103503","url":null,"abstract":"<div><div>The strong association between NPM1 mutation and increased expression levels of HOXA7 and HOXA9 implies that HOXA genes may be utilized as targeted treatment markers in NPM1-mutated patients. We examined HOXA7 and HOXA9 gene expression in acute myeloid leukemia (AML) patients with nucleophosmin1 (NPM1) mutation. This study included 91 cases of AML and 23 samples of matched healthy controls. HOXA7 and HOXA9 gene expression was analyzed using real-time PCR with SYBR Green dye. All cases were subjected to NPM1 mutation detection. Both HOXA7 and HOXA9 gene expressions were significantly correlated with age, with adult patients exhibiting substantially higher gene expression than pediatric patients (<em>p</em> &lt; 0.01). Both HOXA7 and HOXA9 high gene expressions were significantly associated with NPM1 mutation (<em>p</em> = 0.032 and <em>p</em> = 0.001, respectively). Adult patients with AML demonstrated a higher level of HOXA9 expression, which has a negative impact on the disease-free survival of NPM1-mutated patients (<em>p</em> = 0.055). Therefore, targeting the HOXA9 pathway presents a highly plausible treatment option for NPM1-mutated adult AML patients.</div></div>","PeriodicalId":54260,"journal":{"name":"Current Research in Translational Medicine","volume":"73 2","pages":"Article 103503"},"PeriodicalIF":3.2,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143579114","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
Efficacy of mesenchymal stem cell transplantation therapy to mitigate psoriasis: A systematic review and meta-analysis
IF 3.2 4区 医学
Current Research in Translational Medicine Pub Date : 2025-03-03 DOI: 10.1016/j.retram.2025.103504
Rahul Dey , Amitava Das
{"title":"Efficacy of mesenchymal stem cell transplantation therapy to mitigate psoriasis: A systematic review and meta-analysis","authors":"Rahul Dey ,&nbsp;Amitava Das","doi":"10.1016/j.retram.2025.103504","DOIUrl":"10.1016/j.retram.2025.103504","url":null,"abstract":"<div><div>Psoriasis is a chronic inflammatory skin disease characterized by red lesions and skin patches with silvery scales. Overall, 2 - 3 % of the worldwide population is affected by psoriasis. Recent treatment strategies for psoriasis involve Mesenchymal stromal/stem cell (MSC) transplantation instead of conventional treatment with monoclonal antibodies and small molecule drugs. However, studies systematically determining the efficacy of MSC therapy to treat psoriasis are lacking. Three electronic databases, including Cochrane, PubMed, and Web of Science Library, were searched for related studies from 2013 to 2023 using a widespread list of key terms. Among the collected records, duplicates and non-relevant articles were removed by screening the title, abstract, and full text based on the inclusion and exclusion criteria. Data were extracted from the eligible full-text articles to perform the meta-analysis, determining MSC therapy's efficacy in treating psoriasis. In the screening process, five clinical and sixteen preclinical studies, including 1 study with both preclinical and clinical data, showing the efficacy of MSC transplantation therapy to mitigate psoriasis were eligible for the systematic review. The meta-analysis was based on the data extracted from 10 eligible preclinical studies involving 343 animals. Pooled results demonstrated that the Psoriasis Area and Severity Index (PASI) score and the epidermal thickness of the psoriatic plaques in the animals post-MSC transplantation were significantly reduced. Our meta-analysis showed the efficacy of MSC transplantation therapies in mitigating psoriasis in preclinical animal models. Thus, further clinical research is warranted to translate these findings from bench to bedside.</div></div>","PeriodicalId":54260,"journal":{"name":"Current Research in Translational Medicine","volume":"73 2","pages":"Article 103504"},"PeriodicalIF":3.2,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143563471","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
Denutrition status prevails over a standard AML risk assessment in older adults
IF 3.2 4区 医学
Current Research in Translational Medicine Pub Date : 2025-02-06 DOI: 10.1016/j.retram.2025.103500
Laura Simon , Alexis Caulier , Céline Berthon , Thomas Boyer , Véronique Harrivel , Magalie Joris , Isabelle Leduc , Nicolas Duployez , Claude Preudhomme , Jean-Pierre Marolleau , Delphine Lebon
{"title":"Denutrition status prevails over a standard AML risk assessment in older adults","authors":"Laura Simon ,&nbsp;Alexis Caulier ,&nbsp;Céline Berthon ,&nbsp;Thomas Boyer ,&nbsp;Véronique Harrivel ,&nbsp;Magalie Joris ,&nbsp;Isabelle Leduc ,&nbsp;Nicolas Duployez ,&nbsp;Claude Preudhomme ,&nbsp;Jean-Pierre Marolleau ,&nbsp;Delphine Lebon","doi":"10.1016/j.retram.2025.103500","DOIUrl":"10.1016/j.retram.2025.103500","url":null,"abstract":"<div><div>Older adults with acute myeloid leukemia (AML) have a poor prognosis because frailty and the characteristics of the disease limit the use of intensive chemotherapy (ICT). Treatment with 5-azacitidine (5-AZA) or low-dose cytarabine (Cytarabine) (LDAC) – with or without venetoclax – is currently recommended in this setting. However, we lack real-life data on response rates and treatment outcomes.</div><div>We conducted a retrospective, multicenter registry study of 279 older adults with AML (median [interquartile range (IQR)] age: 76 [70–81]) having undergone first-line treatment with LDAC (<em>n</em> = 87) or 5-AZA (<em>n</em> = 192) between 2009 and 2019 (i.e. mainly before the venetoclax era) in a university medical center in France. The complete remission rate was 27.3 % overall. After a median follow-up period of 6.9 months, the median [IQR] overall survival (OS) time was shorter in the LDAC group (4.8 months [2.13–14.41]) than in the 5-AZA group (8.9 months [3.2–13.5]; <em>p</em> = 0.046). Ultimately, however, the OS rates were similar in the LDAC and 5-AZA groups (hazard ratio [HR]: 95 % confidence interval [CI]: 1.37 [0.92–2.04], <em>p</em> = 0.12).</div><div>None of the conventional markers with prognostic value in younger patients receiving ICT (such as those in the European LeukemiaNet classification) appeared to predict the outcome in our population of older patients. Albumin &lt;30 g/L was the only factor that predicted day-30 mortality and OS (adjusted odds ratio [95 %CI]: 6.25 [2.08 – 20.0]; <em>p</em> &lt; 0.001; adjusted HR [95 %CI]: 0.65 [0.44–0.96]; <em>p</em> = 0.030).</div></div>","PeriodicalId":54260,"journal":{"name":"Current Research in Translational Medicine","volume":"73 2","pages":"Article 103500"},"PeriodicalIF":3.2,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143387412","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
AI-assisted computational screening and docking simulation prioritize marine natural products for small-molecule PCSK9 inhibition
IF 3.2 4区 医学
Current Research in Translational Medicine Pub Date : 2025-02-04 DOI: 10.1016/j.retram.2025.103498
Neelakandan Annamalai Ramalakshmi , Muthu Kumar Thirunavukkarasu , Fayaz Shaik , Krishna Navami , Rajanikant Golgodu Krishnamurthy
{"title":"AI-assisted computational screening and docking simulation prioritize marine natural products for small-molecule PCSK9 inhibition","authors":"Neelakandan Annamalai Ramalakshmi ,&nbsp;Muthu Kumar Thirunavukkarasu ,&nbsp;Fayaz Shaik ,&nbsp;Krishna Navami ,&nbsp;Rajanikant Golgodu Krishnamurthy","doi":"10.1016/j.retram.2025.103498","DOIUrl":"10.1016/j.retram.2025.103498","url":null,"abstract":"<div><div>SARS-CoV-2 infection has been associated with long-term cardiovascular complications including myocarditis and heart failure, as well as central nervous system sequelae such as cognitive dysfunction and neuropathy. Proprotein convertase subtilisin/Kexin type 9 (PCSK9), a hepatic protease involved in cholesterol regulation, has shown associations with a spectrum of diseases potentially relevant to these Covid-19 complications, such as atherosclerosis. To identify novel human PCSK9 inhibitors, a custom virtual screening pipeline was developed employing (1) a convolutional neural network-based deep learning model, (2) molecular docking using Schrödinger with Glide scoring function, and (3) molecular dynamics (MD) simulations with Gibbs Free Energy Landscape analysis. The deep learning model was trained on a dataset of known central nervous system, cardiovascular, and anti-inflammatory acting drugs and used to screen the CMNPD database. Docking simulations were performed on shortlisted candidates, followed by MD simulations and free energy landscape analysis to evaluate binding affinities and identify key interaction residues. This multi-step in-silico approach identified promising PCSK9 inhibitor candidates with favorable binding profiles, suggesting that AI-assisted virtual screening can be a powerful tool for discovering novel therapeutic agents.</div></div>","PeriodicalId":54260,"journal":{"name":"Current Research in Translational Medicine","volume":"73 2","pages":"Article 103498"},"PeriodicalIF":3.2,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143387413","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
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