Leveraging Genomic and Bioinformatic Analysis to Enhance Drug Repositioning for Dermatomyositis DOI Creative Commons
Lalu Muhammad Irham, Wirawan Adikusuma,

Anita Silas La’ah

и другие.

Bioengineering, Год журнала: 2023, Номер 10(8), С. 890 - 890

Опубликована: Июль 27, 2023

Dermatomyositis (DM) is an autoimmune disease that classified as a type of idiopathic inflammatory myopathy, which affects human skin and muscles. The most common clinical symptoms DM are muscle weakness, rash, scaly skin. There currently no cure for DM. Genetic factors known to play pivotal role in progression, but few have utilized this information geared toward drug discovery the disease. Here, we exploited genomic variation associated with integrated bioinformatic analyses discover new candidates. We first genome-wide association study (GWAS) phenome-wide (PheWAS) catalogs identify disease-associated variants. Biological risk genes were prioritized using strict functional annotations, further identifying candidate targets based on druggable from databases. Overall, analyzed 1239 variants obtained 43 drugs overlapped 13 target (JAK2, FCGR3B, CD4, CD3D, LCK, CD2, CD3E, FCGR3A, CD3G, IFNAR1, CD247, JAK1, IFNAR2). Six clinically investigated DM, well eight under pre-clinical investigation, could be repositioned Further studies necessary validate potential biomarkers novel therapeutics our findings.

Язык: Английский

Biomedical Big Data Technologies, Applications, and Challenges for Precision Medicine: A Review DOI Creative Commons
Xue Yang, Kexin Huang, Dewei Yang

и другие.

Global Challenges, Год журнала: 2023, Номер 8(1)

Опубликована: Ноя. 20, 2023

The explosive growth of biomedical Big Data presents both significant opportunities and challenges in the realm knowledge discovery translational applications within precision medicine. Efficient management, analysis, interpretation big data can pave way for groundbreaking advancements However, unprecedented strides automated collection large-scale molecular clinical have also introduced formidable terms analysis interpretation, necessitating development novel computational approaches. Some potential include curse dimensionality, heterogeneity, missing data, class imbalance, scalability issues. This overview article focuses on recent progress breakthroughs application Key aspects are summarized, including content, sources, technologies, tools, challenges, existing gaps. Nine fields-Datawarehouse electronic medical record, imaging informatics, Artificial intelligence-aided surgical design surgery optimization, omics health monitoring graph, public security privacy-are discussed.

Язык: Английский

Процитировано

26

Drug Repurposing using Artificial Intelligence, Molecular Docking, and Hybrid Approaches: A Comprehensive Review in General Diseases vs Alzheimer's Disease DOI

Natasha Azeelen Zulhafiz,

Teoh Teik Toe, Ai‐Vyrn Chin

и другие.

Computer Methods and Programs in Biomedicine, Год журнала: 2025, Номер 261, С. 108604 - 108604

Опубликована: Янв. 13, 2025

Язык: Английский

Процитировано

1

Applications of deep learning in Alzheimer’s disease: a systematic literature review of current trends, methodologies, challenges, innovations, and future directions DOI Creative Commons
Shiva Toumaj, Arash Heidari,

Reza Shahhosseini

и другие.

Artificial Intelligence Review, Год журнала: 2024, Номер 58(2)

Опубликована: Дек. 20, 2024

Язык: Английский

Процитировано

3

Hybrid neural network approaches to predict drug–target binding affinity for drug repurposing: screening for potential leads for Alzheimer’s disease DOI Creative Commons

Xia-lin Wu,

Zhuojian Li,

Guanxing Chen

и другие.

Frontiers in Molecular Biosciences, Год журнала: 2023, Номер 10

Опубликована: Июнь 27, 2023

Alzheimer’s disease (AD) is a neurodegenerative that primarily affects elderly individuals. Recent studies have found sigma-1 receptor (S1R) agonists can maintain endoplasmic reticulum stress homeostasis, reduce neuronal apoptosis, and enhance mitochondrial function autophagy, making S1R target for AD therapy. Traditional experimental methods are costly inefficient, rapid accurate prediction need to be developed, while drug repurposing provides new ways options treatment. In this paper, we propose HNNDTA, hybrid neural network drug–target affinity (DTA) prediction, facilitate The study combines protein–protein interaction (PPI) analysis, the HNNDTA model, molecular docking identify potential leads AD. model was constructed using 13 encoding networks 9 with 2506 FDA-approved drugs as candidate library related proteins. Seven were identified pharmacology DTA results of model. Molecular simulations further performed AutoDock Vina tool screen haloperidol bromperidol lead compounds Absorption, distribution, metabolism, excretion, toxicity (ADMET) evaluation indicated both had good pharmacokinetic properties virtually non-toxic. proposes approach computer-aided design faster more economical, improve hit rates compounds. provide treatment, which may effective due their multi-target action. freely available at https://github.com/lizhj39/HNNDTA .

Язык: Английский

Процитировано

5

The Millennia-Long Development of Drugs Associated with the 80-Year-Old Artificial Intelligence Story: The Therapeutic Big Bang? DOI Creative Commons

Aurore Crouzet,

Nicolás López,

Benjamin Riss Yaw

и другие.

Molecules, Год журнала: 2024, Номер 29(12), С. 2716 - 2716

Опубликована: Июнь 7, 2024

The journey of drug discovery (DD) has evolved from ancient practices to modern technology-driven approaches, with Artificial Intelligence (AI) emerging as a pivotal force in streamlining and accelerating the process. Despite vital importance DD, it faces challenges such high costs lengthy timelines. This review examines historical progression current market DD alongside development integration AI technologies. We analyse encountered applying focusing on design protein–protein interactions. discussion is enriched by presenting models that put forward application DD. Three case studies are highlighted demonstrate successful including novel class antibiotics small-molecule inhibitor progressed phase II clinical trials. These cases underscore potential identify new candidates optimise convergence embodies transformative shift field, offering path overcome traditional obstacles. By leveraging AI, future promises enhanced efficiency breakthroughs, heralding era medical innovation even though there still long way go.

Язык: Английский

Процитировано

1

Drug repurposing using meta-analysis of gene expression in Alzheimer’s disease DOI Creative Commons
Ha Young Jang, Jung Mi Oh, In‐Wha Kim

и другие.

Frontiers in Neuroscience, Год журнала: 2022, Номер 16

Опубликована: Ноя. 10, 2022

Alzheimer's disease and other forms of dementia are that bring an increased global burden. However, the medicine developed to date remains limited. The purpose this study is predict drug repositioning candidates using a computational method integrates gene expression profiles on compound-induced changes in levels.Gene data were obtained from Gene Expression Omnibus (GEO) we conducted meta-analysis their levels. reverse scores expressions computed based reversal relationship between profiles.Reversal genes candidate compounds identified by leave-one-out cross-validation procedure. Additionally, half-maximal inhibitory concentration (IC50) values blood-brain barrier (BBB) permeability ChEMBL PubChem, respectively.New therapeutic target against means repositioning.

Язык: Английский

Процитировано

6

Meta-Analysis of the Efficacy and Safety of Olanzapine versus Clozapine when Treating Senile Dementia DOI Open Access

Zongqin Wang,

Yingying Feng, Yanyan Wang

и другие.

Computational and Mathematical Methods in Medicine, Год журнала: 2022, Номер 2022, С. 1 - 12

Опубликована: Авг. 11, 2022

Objective. To systematically assess the safety and efficacy of olanzapine versus clozapine when treating senile dementia to provide evidence-based medicine basis for its promotion use. Methods. PubMed, Embase, ScienceDirect, Cochrane Library, China Knowledge Network Database (CNKI), VIP Database, Wanfang Biomedical Literature (CBM) online database were searched randomized controlled trials (RCT) dementia. The retrieval time limit is from establishment present. data extracted independently by two researchers, bias risk each contained literature was analyzed in accordance with standard Handbook 5.3. RevMan 5.4 statistical software used analyze collected meta-analysis. Results. Finally, 6 trial articles included, a total 490 samples. Meta-analysis clinical showed that similar there no significant difference ( P > 0.05 ). Two Alzheimer’s disease pathological behavior rating scale (BEHAVE-AD) compare different stages after treatment. Statistical analysis between score BEHAVE-AD scores factor week non-treatment adverse reaction (TESS) study group control TESS treatment significantly lower than group. BPRS meta-analysis, reported incidence neurological symptoms Olanzapine can effectively reduce aging. There patients id="M2"> According meat products, reactions id="M3"> < Conclusion. have mental behavioral disorders dementia, which more effective improving (AD), less high safety, worth popularizing practice. However, studies follow-up higher methodological quality longer intervention are needed further verify.

Язык: Английский

Процитировано

4

Advances in Drug Design and Development for Human Therapeutics Using Artificial Intelligence—I DOI Creative Commons
Dong‐Qing Wei, Gilles H. Peslherbe, Gurudeeban Selvaraj

и другие.

Biomolecules, Год журнала: 2022, Номер 12(12), С. 1846 - 1846

Опубликована: Дек. 10, 2022

Artificial intelligence (AI) has emerged as a key player in modern healthcare, especially the pharmaceutical industry for development of new drugs and vaccine candidates [...]

Язык: Английский

Процитировано

4

Caveolae with serotonin and NMDA receptors as promising targets for the treatment of Alzheimer’s disease DOI

Moeka Nakashima,

Naoko Suga,

Akari Fukumoto

и другие.

International Journal of Physiology Pathophysiology and Pharmacology, Год журнала: 2024, Номер 16(5), С. 96 - 110

Опубликована: Янв. 1, 2024

Alzheimer's disease is the most general type of cognitive impairments. Until recently, strategies that prevent its clinical progression have remained more elusive. Consequently, research direction should be for finding effective neuroprotective agents. It has been suggested oxidative stress, mitochondrial injury, and inflammation level might lead to brain cell death in many neurological disorders. Therefore, several autophagy-targeted bioactive compounds may promising candidate therapeutics prevention damage. Interestingly, some risk genes are expressed within cells, which linked cholesterol metabolism, lipid transport, endocytosis, exocytosis and/or caveolae formation, suggesting a fruitful therapeutic target improve This review would highlight latest advances technologies treatment disease. In particular, paradigm serotonin N-methyl-d-aspartate (NMDA) receptors agonist/antagonist structure possibly impairment. cellular membrane biophysics our understanding pathology dysfunction associated with Here, this purpose therapy open potential move care toward disease-modifying certain benefits patients.

Язык: Английский

Процитировано

0

Network neighborhood operates as a drug repositioning method for cancer treatment DOI Creative Commons
Ali Cüvitoğlu, Zerrin Işık

PeerJ, Год журнала: 2023, Номер 11, С. e15624 - e15624

Опубликована: Июль 10, 2023

Computational drug repositioning approaches are important, as they cost less compared to the traditional development processes. This study proposes a novel network-based approach, which computes similarities between disease-causing genes and drug-affected in network topology suggest candidate drugs with highest similarity scores. new method aims identify better treatment options by integrating systems biology approaches. It uses protein-protein interaction that is main compute score genes. The were mapped on this structure. Transcriptome profiles of candidates taken from LINCS project individually these two networks was calculated different neighborhood metrics, including Adamic-Adar, PageRank scoring. proposed approach identifies best choosing significant experimented melanoma, colorectal, prostate cancers. Several predicted applying AUC values 0.6 or higher. Some predictions approved clinical phase trials other in-vivo studies found literature. would integration functional information transcriptome level effects perturbations diseases.

Язык: Английский

Процитировано

1