Validating linalool as a potential drug for breast cancer treatment based on machine learning and molecular docking DOI
Qian Zhang, Dengfeng Chen

Drug Development Research, Journal Year: 2024, Volume and Issue: 85(4)

Published: June 1, 2024

Abstract Breast cancer (BC) is a common for women. This study aims to construct prognostic risk model of BC and identify biomarkers through machine learning approaches, clarify the mechanism by which linalool exerts tumor‐suppressive function. Three mRNA microarray/RNA sequencing data sets (GSE25055, GSE103091, TCGA‐BRCA) were obtained from Gene Expression Omnibus database The Cancer Genome Atlas database, genes univariate COX analysis. Multiple methods used screen core models. enrichment analysis crucial was analyzed using DAVID database. UALCAN, human protein atlas, geneMANIA, LinkedOmics databases analyze gene expression co‐expressed genes. Molecular docking molecular dynamics simulation applied verify binding affinity between phosphoglycerate kinase 1 (PGK1). Cell counting kit 8 (CCK‐8, Edu, transwell, flow cytometry, Western blot assay cell activity, apoptosis, cycle expression. Eight bioinformatics learning, models constructed. could well predict prognosis patients, score be as an independent factor BC. Overall survival (OS) immune infiltration characteristics distinct high low groups. PGK1 highly expressed in OS patients with shorter. related PPAR signaling pathway. Linalool had good inhibit viability, proliferation, migration, invasion cells, promote induce G0/G1 arrest. In addition, can PPARγ Machine promising exploration new drug targets BC, effects inhibiting activating

Language: Английский

Tribulations and future opportunities for artificial intelligence in precision medicine DOI Creative Commons
Claudio Carini, Attila A. Seyhan

Journal of Translational Medicine, Journal Year: 2024, Volume and Issue: 22(1)

Published: April 30, 2024

Abstract Upon a diagnosis, the clinical team faces two main questions: what treatment, and at dose? Clinical trials' results provide basis for guidance support official protocols that clinicians use to base their decisions. However, individuals do not consistently demonstrate reported response from relevant trials. The decision complexity increases with combination treatments where drugs administered together can interact each other, which is often case. Additionally, individual's treatment varies changes in condition. In practice, drug dose selection depend significantly on medical protocol team's experience. As such, are inherently varied suboptimal. Big data Artificial Intelligence (AI) approaches have emerged as excellent decision-making tools, but multiple challenges limit application. AI rapidly evolving dynamic field potential revolutionize various aspects of human life. has become increasingly crucial discovery development. enhances across different disciplines, such medicinal chemistry, molecular cell biology, pharmacology, pathology, practice. addition these, contributes patient population stratification. need healthcare evident it aids enhancing accuracy ensuring quality care necessary effective treatment. pivotal improving success rates increasing significance discovery, development, trials underscored by many scientific publications. Despite numerous advantages AI, advancing Precision Medicine (PM) remote monitoring, unlocking its full requires addressing fundamental concerns. These concerns include quality, lack well-annotated large datasets, privacy safety issues, biases algorithms, legal ethical challenges, obstacles related cost implementation. Nevertheless, integrating medicine will improve diagnostic outcomes, contribute more efficient delivery, reduce costs, facilitate better experiences, making sustainable. This article reviews applications development sustainable, highlights limitations applying AI.

Language: Английский

Citations

37

Standardizing digital biobanks: integrating imaging, genomic, and clinical data for precision medicine DOI Creative Commons
Valentina Brancato, Giuseppina Esposito, Luigi Coppola

et al.

Journal of Translational Medicine, Journal Year: 2024, Volume and Issue: 22(1)

Published: Feb. 5, 2024

Abstract Advancements in data acquisition and computational methods are generating a large amount of heterogeneous biomedical from diagnostic domains such as clinical imaging, pathology, next-generation sequencing (NGS), which help characterize individual differences patients. However, this information needs to be available suitable promote support scientific research technological development, supporting the effective adoption precision medicine approach practice. Digital biobanks can catalyze process, facilitating sharing curated standardized imaging data, clinical, pathological molecular crucial enable development comprehensive personalized data-driven disease management fostering predictive models. This work aims frame perspective, first by evaluating state standardization then identifying challenges proposing possible solution towards an integrative that guarantee suitability shared through digital biobank. Our analysis art shows presence use reference standards and, generally, repositories for each specific domain. Despite this, integration reproducibility numerical descriptors generated domain, e.g. radiomic, pathomic -omic features, is still open challenge. Based on cases scenarios, model, based JSON format, proposed address problem. Ultimately, how, with promotion efforts, biobank model become enabling technology study diseases technologies at service medicine.

Language: Английский

Citations

26

Network-based drug repurposing identifies small molecule drugs as immune checkpoint inhibitors for endometrial cancer DOI
Faheem Ahmed,

Anupama Samantasinghar,

Wajid Ali

et al.

Molecular Diversity, Journal Year: 2024, Volume and Issue: unknown

Published: Jan. 16, 2024

Language: Английский

Citations

18

Brain tumor detection with integrating traditional and computational intelligence approaches across diverse imaging modalities - Challenges and future directions DOI
Amreen Batool,

Yung-Cheol Byun

Computers in Biology and Medicine, Journal Year: 2024, Volume and Issue: 175, P. 108412 - 108412

Published: April 16, 2024

Language: Английский

Citations

16

A pan-cancer multi-omics analysis of lactylation genes associated with tumor microenvironment and cancer development DOI Creative Commons
Zhixuan Wu,

Haodong Wu,

Yinwei Dai

et al.

Heliyon, Journal Year: 2024, Volume and Issue: 10(5), P. e27465 - e27465

Published: March 1, 2024

BackgroundLactylation is a significant post-translational modification bridging the gap between cancer epigenetics and metabolic reprogramming. However, association lactylation prognosis, tumor microenvironment (TME), response to drug therapy in various cancers remains unclear.MethodsFirst, expression, prognostic value, genetic epigenetic alterations of genes were systematically explored pan-cancer manner. Lactylation scores derived for each using single-sample gene set enrichment analysis (ssGSEA) algorithm. The correlation with clinical features, TME was assessed by integrating multiple computational methods. In addition, GSE135222 data used assess efficacy predicting immunotherapy outcomes. expression breast gliomas verified RNA-sequencing.ResultsLactylation significantly upregulated most types. CREBBP EP300 exhibited high mutation rates analysis. impact score varied type, protective factor KIRC, ACC, READ, LGG, UVM, risk CHOL, DLBC, LAML, OV. associated cold TME. infiltration levels CD8+ T, γδT, natural killer T cell (NKT), NK cells lower tumors higher scores. Finally, worse patients than other types.ConclusionLactylation are involved malignancy formation. serves as promising biomarker patient prognosis efficacy.

Language: Английский

Citations

9

Data Management in Biobanking: Strategies, Challenges, and Future Directions DOI Creative Commons
Ramez Alkhatib, Karoline I. Gaede

BioTech, Journal Year: 2024, Volume and Issue: 13(3), P. 34 - 34

Published: Sept. 2, 2024

Biobanking plays a pivotal role in biomedical research by providing standardized processing, precise storing, and management of biological sample collections along with the associated data. Effective data is prerequisite to ensure integrity, quality, accessibility these resources. This review provides current landscape biobanking, discussing key challenges, existing strategies, potential future directions. We explore multiple aspects management, including collection, storage, curation, sharing, ethical considerations. By examining evolving technologies methodologies we aim provide insights into addressing complexities maximizing utility biobank for clinical applications.

Language: Английский

Citations

9

Single-cell atlas reveals multi-faced responses of losartan on tubular mitochondria in diabetic kidney disease DOI Creative Commons
Zhen Zhu, Guangxin Luan, Song Wu

et al.

Journal of Translational Medicine, Journal Year: 2025, Volume and Issue: 23(1)

Published: Jan. 21, 2025

Mitochondria are crucial to the function of renal tubular cells, and their dynamic perturbation in many aspects is an important mechanism diabetic kidney disease (DKD). Single-nucleus RNA sequencing (snRNA-seq) technology a high-throughput analysis technique for at level single cell nucleus. Here, our DKD mouse single-cell conveys more comprehensive mitochondrial profile, which helps us further understand therapeutic response this unique organelle family drugs. After high fat diet (HFD), mice were intraperitoneally injected with streptozotocin (STZ) induce DKD, then divided into three subsets: CON (healthy) subset, (vehicle) LST (losartan; 25 mg/kg/day) subset. Divide HK-2 LG (low glucose; 5 mM) HG (high 30 + 1 µ M) subsets. snRNA-seq was performed on tissues subset mice. To reveal effects losartan gene pathway changes mitochondria, Gene Ontology (GO) enrichment GSEA/GSVA scoring analyze specific proximal (PT) mitochondria treatment, including key events homeostasis such as morphology, dynamics, mitophagy, autophagic flux, respiratory chain, apoptosis, ROS generation. Preliminary validation through vitro vivo experiments, observation morphology dynamics using probes Mitotracker Red, evaluation effect electron microscopy, laser confocal immunofluorescence, Western blotting. Detection flux cells by transfecting Ad-mCherry-GFP-LC3B dual fluorescence labeled adenovirus. Various fluorescent energy detector used detect ROS, respiration mitochondrion. Through atlas kidneys, it found that treatment significantly increased percentage PT cells. differentially expressed genes showed autophagy mitochondrion pathway. Further GSEA GSVA revealed mitophagy other events, production, membrane potential, adenosine triphosphate (ATP) synthesis, involved protective thereby improving homeostasis. Consistent results also obtained cellular experiments. In addition, we highlighted subpopulation phenotype data, preliminarily validated co-localization expression Pink1 Gclc specimens patients treated losartan. Our research suggests scRNA-seq can reflect multifaceted landscape after drug these findings may provide new targets therapy level.

Language: Английский

Citations

1

Network-based drug repurposing for HPV-associated cervical cancer DOI
Faheem Ahmed, Young Jin Yang,

Anupama Samantasinghar

et al.

Computational and Structural Biotechnology Journal, Journal Year: 2023, Volume and Issue: 21, P. 5186 - 5200

Published: Jan. 1, 2023

Language: Английский

Citations

18

Repurposing Therapeutic Drugs Complexed to Vanadium in Cancer DOI Creative Commons
Ana Luísa De Sousa‐Coelho, Gil Fraqueza, Manuel Aureliano

et al.

Pharmaceuticals, Journal Year: 2023, Volume and Issue: 17(1), P. 12 - 12

Published: Dec. 21, 2023

Repurposing drugs by uncovering new indications for approved accelerates the process of establishing treatments and reduces high costs drug discovery development. Metal complexes with clinically allow further opportunities in cancer therapy—many vanadium compounds have previously shown antitumor effects, which makes a suitable metal to complex therapeutic drugs, potentially improving their efficacy treatment. In this review, covering last 25 years research field, we identified non-oncology-approved as ligands obtain different complexes. Metformin-decavanadate, vanadium-bisphosphonates, vanadyl(IV) non-steroidal anti-inflammatory cetirizine imidazole-based oxidovanadium(IV) complexes, each has parent known medicinal properties indications, all showed potential novel anticancer treatments. Nevertheless, precise mechanisms action these against are still not fully understood.

Language: Английский

Citations

17

Single-cell transcriptome sequencing reveals aberrantly activated inter-tumor cell signaling pathways in the development of clear cell renal cell carcinoma DOI Creative Commons
Junfeng Zhang, Fuzhong Liu, Wenjia Guo

et al.

Journal of Translational Medicine, Journal Year: 2024, Volume and Issue: 22(1)

Published: Jan. 8, 2024

Abstract Background Aberrant intracellular or intercellular signaling pathways are important mechanisms that contribute to the development and progression of cancer. However, communication associated with ccRCC is currently unknown. The purpose this study was examine aberrant tumor cell-to-cell signals during ccRCC. Methods We conducted an analysis on scRNA-seq data 6 normal kidney tissues. This included sub clustering, CNV analysis, single-cell trajectory cell–cell transcription factor analysis. Moreover, we performed validation tests clinical samples using multiplex immunofluorescence. Results identified eleven aberrantly activated in clusters from samples. Among these, two majors molecules, MIF SPP1, were mainly secreted by a subpopulation cancer stem cells. demonstrated high expression levels cell markers POU5F1 CD44 (POU5F1 hi E.T), regulating SPP1. Further research SPP1 binds integrin receptors surface target cells promotes activating potential such as ILK JAK/STAT. Conclusion Aberrantly promote E.T) malignant transformation phenotype releasing molecules interacting other

Language: Английский

Citations

8