Metabolomics‐driven approaches for identifying therapeutic targets in drug discovery DOI Creative Commons

Sophearith Pan,

Lichang Yin, Jie Liu

et al.

MedComm, Journal Year: 2024, Volume and Issue: 5(11)

Published: Nov. 1, 2024

Abstract Identification of therapeutic targets can directly elucidate the mechanism and effect drug therapy, which is a central step in development. The disconnect between protein phenotypes under complex mechanisms hampers comprehensive target understanding. Metabolomics, as systems biology tool that captures phenotypic changes induced by exogenous compounds, has emerged valuable approach for identification. A overview was provided this review to illustrate principles advantages metabolomics, delving into application metabolomics This outlines various metabolomics‐based methods, such dose–response stable isotope‐resolved multiomics, identify key enzymes metabolic pathways affected substances through dose‐dependent metabolite–drug interactions. Emerging techniques, including single‐cell artificial intelligence, mass spectrometry imaging, are also explored their potential enhance discovery. emphasizes metabolomics' critical role advancing our understanding disease accelerating targeted development, while acknowledging current challenges field.

Language: Английский

Enhanced detection of explosives: A novel approach using poly(2-oxazoline)s-based molecularly imprinted polymers combined with ambient mass spectrometry DOI
Michał Cegłowski, Aleksandra Lusina, Tomasz Nazim

et al.

European Polymer Journal, Journal Year: 2025, Volume and Issue: 224, P. 113704 - 113704

Published: Jan. 4, 2025

Language: Английский

Citations

3
Sorptive tape-spray tandem mass spectrometry using aluminum foil coated with mixed-mode microparticles DOI Creative Commons
Carlos Calero-Cañuelo, Francisco Antonio Casado-Carmona, Rafael Lucena

et al.

Talanta, Journal Year: 2024, Volume and Issue: 272, P. 125774 - 125774

Published: Feb. 8, 2024

Direct mass spectrometry (MS) is an exciting strategy in bioanalysis, enabling rapid decision-making different scenarios. Its application usually hindered by matrix effects and the typically low concentration of target compounds biofluids. In this sense, combining a previous sample preparation step minimizes or removes these shortcomings. This article describes sorptive tape-spray tandem (STS-MS/MS) based on mixed-mode particles as to combine MS analysis single device. The technique uses tape (ST) consisting polymeric microparticles (combining ionic exchange hydrophobic interactions) coated over aluminum foil spatial controlled way. tapes act phases isolate analytes from substrates for STS-MS/MS. performance has been evaluated developing method determine codeine saliva proof concept. affordability STs elements allows many individual at cost so that several samples can be extracted simultaneously, thus increasing throughput. extraction variables were optimized following multivariate approach. Working under optimum conditions, limit detection was 0.3 μg L

Language: Английский

Citations

10
iTASO: A Novel Photosensitive Probe for High-Throughput and Selective Submetabolomic Analysis via Flow Injection-Mass Spectrometry DOI

Peirong Bai,

Na An, Yanzhen Wang

et al.

Analytical Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 13, 2025

Flow injection mass spectrometry (FI-MS) is widely employed for high-throughput metabolome analysis, yet the absence of prior separation leads to significant matrix effects, thereby limiting coverage. In this study, we introduce a novel photosensitive MS probe, iTASO-ONH2, integrated with FI-MS establish strategy submetabolome analyses. The iTASO probe features conjugated-imino sulfonate moiety efficient photolysis under 365 nm irradiation and reactive group selective metabolite labeling. iTASO-ONH2 effectively selectively labels carbonyl compounds, forming highly stable labeled products. Upon UV exposure, products rapidly release sulfonic acid-containing products, detectable high sensitivity in ESI-negative mode low effect, offering femtomole-level detection sensitivity. iTASO-ONH2-based was applied fecal samples from chronic sleep-deprived control mice, revealing 192 potential compounds which 37 exhibited alterations. Additionally, three other probes─iTASO-NH2, iTASO-NHS, iTASO-MAL─were synthesized label carboxyl, amino, thiol metabolites, respectively, underscoring versatility iTASO-based submetabolomic analysis across diverse classes.

Language: Английский

Citations

1
Straightforward Creation of Multishell Hollow Hybrids for an Integrated Metabolic Monitoring System in Disease Management DOI
Man Zhang,

Fangying Shi,

Yijie Chen

et al.

Small, Journal Year: 2024, Volume and Issue: 20(33)

Published: March 26, 2024

Multidimensional metabolic analysis has become a new trend in establishing efficient disease monitoring systems, as the constraints associated with relying solely on single dimension refined are increasingly pronounced. Here, coordination polymers employed derivative precursors to create multishell hollow hybrids, developing an integrated system. Briefly, fingerprints extracted from hundreds of serum samples and urine samples, encompassing not only membranous nephropathy but also related diseases, using high-throughput mass spectrometry. With optimized algorithm initial feature selection, established combined panel demonstrates enhanced accuracy both subtype differentiation (over 98.1%) prognostic 95.6%), even during double blind test. This surpasses biomarker (≈90.7% for subtyping, ≈89.7% prognosis) (≈94.4% ≈76.5% prognosis). Moreover, after attempting further refine marker panel, test maintains equal sensitivity, specificity, accuracy, showcasing comprehensive improvement over single-fluid approach. underscores remarkable effectiveness superiority strategy discriminating between MN other groups. work potential significantly advance diagnostic medicine, leading establishment more effective strategies patient management.

Language: Английский

Citations

6
Rapid metabolic profiling and authentication of Cordyceps using ambient ionization mass spectrometry and machine learning DOI
Wenbo Ma,

Myoung-Suk Song,

Zhigang Ji

et al.

Analytical and Bioanalytical Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 11, 2025

Language: Английский

Citations

0
Profiling of Biofluid Metabolites with a Kinetically Differentiated Binary Biosensing Platform DOI
Bing Qi,

Ziyun Miao,

Jiahui Tan

et al.

Analytical Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 26, 2025

Biofluid metabolites have a crucial linkage with the health of human body, and developing universal method for metabolite monitoring is imperative disease diagnosis management. Herein, we report kinetically differentiated binary biosensing platform that specifically responsive to NAD(P)H profiling diverse biofluid metabolites. The comprises cyanine derivative dye fast reaction kinetics quinolinium slow kinetics. Compared traditional unitary strategy detection, linear range widened by up 20 times. are ubiquitous cofactors in living systems, production generally involves consumption or generation NAD(P)H. Thus, can be easily quantified measuring variation concentration during biochemical reactions platform. In this study, serum sorbitol, 2-hydroxybutyric acid (2HB), α-ketoglutarate (AKG) were all accuracies higher than 93%. extended analysis any molecule react directly indirectly addition, constructed paper-based assay platform, test papers showed good promise point-of-care (POC) This study proposes simple expand calibration detection systems further provides paradigm high throughput disease-associated biomolecules, which offers

Language: Английский

Citations

0
Efficacy of Urine Asymmetric Dimethylarginine Concentration to Predict Azotemia in Hyperthyroid Cats After Radio‐Iodine Treatment DOI Creative Commons
Ellen Vanden Broecke, Lisa Stammeleer, Emmelie Stock

et al.

Journal of Veterinary Internal Medicine, Journal Year: 2025, Volume and Issue: 39(3)

Published: April 24, 2025

ABSTRACT Background Hyperthyroidism can mask concurrent chronic kidney disease in cats, and no accurate biomarkers are available to predict which cats will develop renal azotemia after radioiodine ( 131 I) treatment. Hypothesis/Objectives To evaluate the potential of serum urinary metabolites metabolite ratios post‐ I hyperthyroid cats. Animals Hyperthyroid n = 31), before (3–12 months) treatment with at Faculty Veterinary Medicine (Ghent University, Belgium). Methods Retrospective study. Optimized validated feline extraction analysis protocols were employed for metabolic profiling urine samples using ultra‐high performance liquid chromatography–high‐resolution mass spectrometry. A dual strategy cross‐validated univariate penalized multivariate logistic regression was applied determine predictivity (i.e., area under curve [AUC], accuracy, sensitivity, specificity) individual panels. Results All non‐azotemic administration. After treatment, 7 became persistently (≥ 2 timepoints) azotemic while 24 remained non‐azotemic. Urinary asymmetric dimethylarginine (ADMA) identified as a pivotal predictor both modeling. When standalone biomarker, an AUC 0.851, accuracy 0.903, sensitivity 0.714, specificity 0.958 achieved. While pre‐treatment USG significantly different P 0.002) between groups, it did not show enhanced prediction over ADMA, nor Conclusions Clinical Importance ADMA accurately becoming euthyroid These findings aid clinicians managing owner expectations modify plans.

Language: Английский

Citations

0
MASS SPECTROMETRY-BASED HIGH-THROUGHPUT SAMPLE TREATMENT METHODS FOR ANALYSIS OF XENOBIOTICS IN HUMAN BIOFLUIDS DOI Creative Commons

Esther González-Infante,

Anne San Román, Juan F. Ayala-Cabrera

et al.

Advances in Sample Preparation, Journal Year: 2025, Volume and Issue: 14, P. 100183 - 100183

Published: April 28, 2025

Language: Английский

Citations

0
3D-printing advances mass spectrometry in biomedical analysis DOI Creative Commons
Wei Chen, Bochao Zhang, Magdalena Stevanović

et al.

LabMed discovery., Journal Year: 2024, Volume and Issue: 1(1), P. 100010 - 100010

Published: Aug. 8, 2024

Mass spectrometry (MS) is an analytical technique for molecular identification and characterization, with applications spanning various scientific disciplines. Despite its significance, MS faces challenges in widespread adoption due to cost constraints, instrument portability issues, complex sample handling requirements. In recent years, 3D printing has emerged as a technology across industries cost-effectiveness, customization capabilities, rapid prototyping features. This review explores the integration of overcome existing limitations enhance biomedical analysis capabilities. We first categorize mainstream methods assess their potential applications. also discuss roles different categories such liquid/gas chromatography (LC/GC MS), ambient ionization (AIMS), matrix-assisted laser desorption/ionization (MALDI MS) research. Additionally, we highlight current future research directions advancing printing-assisted mass spectrometry, emphasizing role enabling portable, cost-effective, customized solutions analysis.

Language: Английский

Citations

3
Metabolomics‐driven approaches for identifying therapeutic targets in drug discovery DOI Creative Commons

Sophearith Pan,

Lichang Yin, Jie Liu

et al.

MedComm, Journal Year: 2024, Volume and Issue: 5(11)

Published: Nov. 1, 2024

Abstract Identification of therapeutic targets can directly elucidate the mechanism and effect drug therapy, which is a central step in development. The disconnect between protein phenotypes under complex mechanisms hampers comprehensive target understanding. Metabolomics, as systems biology tool that captures phenotypic changes induced by exogenous compounds, has emerged valuable approach for identification. A overview was provided this review to illustrate principles advantages metabolomics, delving into application metabolomics This outlines various metabolomics‐based methods, such dose–response stable isotope‐resolved multiomics, identify key enzymes metabolic pathways affected substances through dose‐dependent metabolite–drug interactions. Emerging techniques, including single‐cell artificial intelligence, mass spectrometry imaging, are also explored their potential enhance discovery. emphasizes metabolomics' critical role advancing our understanding disease accelerating targeted development, while acknowledging current challenges field.

Language: Английский

Citations

2