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Metabolite Analysis and Identification

Metabolite Analysis and Identification

Metabolite analysis is essential for understanding biochemical pathways, disease mechanisms, and therapeutic response. BOC Sciences uses state-of-the-art analytical technology and bioinformatics capabilities to provide a full range of metabolite profiling and identification services. With the use of mass spectrometry and nuclear magnetic resonance technologies, BOC Sciences supports biomarker discovery, metabolic pathways, and pharmaceutical research communities with highly precise and actionable data.

Which Challenges Are Hindering Your Metabolite Analysis and Identification?

Metabolite analysis encounters substantial difficulties because of the vast variety of chemicals and the generally low metabolite concentrations found in biological samples. The detection and quantification of metabolites become unreliable due to these factors which frequently exceed the capability limits of standard analytical methods. Traditional analytical methods often cannot achieve enough sensitivity and specificity to identify metabolites within biological matrices that are complicated by many interfering substances. The existence of isomeric metabolites with identical molecular formulas but different structural arrangements create additional complexity that mandates advanced separation and identification methods. Metabolomics produces extensive high-dimensional data sets that require specialized bioinformatics tools and expert knowledge to interpret correctly. Lack of these resources often causes delays and creates difficulties when trying to extract valuable insights. The current challenges prevent the efficient execution of data-driven decisions in important fields like drug development and medical research which demonstrates the necessity for technological and computational integration.

Advantages of BOC Sciences' Metabolite Detection Services

Advanced Expertise and Technology

Our experienced scientific team applies cutting-edge methodologies to ensure high accuracy and reliable metabolite analysis.

Comprehensive Databases and Resources

We maintain extensive metabolite databases and resources to support multi-level and multidimensional metabolite identification.

Efficient Sample Processing and Analysis

Optimized workflows and strategies enhance sample throughput, ensuring timely delivery of analytical results.

Customized Client Service Capability

We provide flexible, tailored solutions to meet diverse research needs and accelerate project success.

Metabolite Analysis and Identification Services by BOC Sciences

BOC Sciences provides a comprehensive suite of metabolite analysis and identification services designed to support drug metabolism studies, pharmacokinetic profiling, and safety evaluation. Leveraging advanced analytical technologies and deep expertise, we deliver precise and reliable characterization of metabolites across various biological matrices.

Metabolite Structure Identification

We utilize state-of-the-art techniques such as LC-MS/MS, HR-MS, and NMR spectroscopy to accurately elucidate the chemical structures of metabolites, facilitating detailed metabolic pathway analysis.

Metabolite Profiling

Our metabolite profiling services include qualitative and quantitative analysis of metabolite spectra in both in vitro and in vivo systems, enabling a comprehensive understanding of compound biotransformation.

In Vitro Metabolite Identification

BOC Sciences conducts in vitro metabolism studies using liver microsomes, hepatocytes, and recombinant enzymes to identify metabolic products and assess enzyme involvement in drug metabolism.

In Vivo Metabolite Analysis

We perform in vivo metabolite characterization primarily in preclinical animal models to evaluate metabolic pathways, bioavailability, and exposure levels of parent compounds and their metabolites.

Stable Isotope Labeling Studies

Our services include the application of stable isotope-labeled compounds to trace metabolic routes, improve metabolite detection sensitivity, and distinguish between endogenous and drug-derived metabolites.

Active Metabolite Research

We focus on identifying and characterizing pharmacologically active metabolites that may contribute to therapeutic efficacy or adverse effects, supporting drug candidate optimization.

Toxic Metabolite Identification

BOC Sciences offers specialized screening and identification of potentially toxic or reactive metabolites using trapping agents and advanced analytical platforms to assess safety risks.

Metabolite Analysis in Biological Samples

Our robust analytical workflows enable sensitive detection and quantification of metabolites in complex biological matrices such as plasma, urine, bile, and tissue homogenates, ensuring comprehensive metabolic profiling.

Metabolite Analysis in Tissue Samples

We provide targeted and untargeted metabolite analysis in various tissue samples, allowing detailed investigation of local metabolism, distribution, and accumulation of drug-related metabolites.

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Advanced Metabolism Research Models Supporting Drug Discovery

BOC Sciences has developed an integrated platform encompassing in vitro cell systems, in vivo animal models, organoids, and specialized metabolic disease models. These tools are optimized for metabolic stability testing, metabolite profiling, enzyme function analysis, and translational pharmacokinetic research, offering comprehensive support across preclinical drug development.

In Vitro Models for Drug Metabolism and Transport Studies

Model TypeRepresentative Applications
Primary HepatocytesHuman and animal-derived (rat, monkey, mouse); contain full Phase I (CYP450) and Phase II (UGT, SULT) enzymes for metabolic stability and interspecies comparison studies.
Liver MicrosomesHigh-throughput metabolic stability screening; suitable for glucuronidation assays (e.g., 7-hydroxycoumarin).
Caco-2 CellsMimic intestinal absorption and first-pass metabolism; used to predict oral drug bioavailability.
Renal Cells (e.g., HK-2)Investigate renal metabolic pathways and excretion mechanisms.
Brain Endothelial Cells (e.g., hCMEC/D3)Evaluate blood-brain barrier permeability and CNS drug metabolism.

Organoids and 3D Culture Systems for Metabolite Analysis

Model TypeRepresentative Applications
Liver OrganoidsLong-term culture models maintaining primary hepatocyte function; used for metabolic phenotype analysis.
Tumor OrganoidsCancer-specific models for studying drug metabolism, resistance, and metabolic reprogramming in tumor microenvironments.

In Vivo Animal Models for Metabolite Profiling

Species/ModelApplications
Rodents (Rat, Mouse)Routine PK studies with plasma, urine, and bile collection; support for full metabolite spectrum analysis.
Knockout Mouse ModelsGene-edited strains (e.g., CYP450 knockout) used for validating enzyme-specific metabolism.
Non-Human Primates (Macaques)High homology to human metabolic enzymes; ideal for translational research in metabolic diseases (e.g., obesity, diabetes).
Pregnancy Models in NHPsMetabolomics of placenta, fetal liver, and adaptive tissue metabolism during gestation.

Analytical Platform for Metabolite Research at BOC Sciences

BOC Sciences integrates state-of-the-art analytical technologies to provide accurate, efficient, and comprehensive metabolite analysis and identification services. By combining multiple orthogonal techniques such as high-resolution mass spectrometry, ion mobility, gas chromatography, and nuclear magnetic resonance, we ensure structural elucidation of known and unknown metabolites across biological matrices. Our platform supports both qualitative and quantitative analysis in various applications, including in vitro/in vivo metabolism, toxicity evaluation, and stable isotope tracing studies.

Q-TOF LC-MS System Orbitrap LC-MS System Triple Quadrupole LC-MS/MS System GC-MS System Ion Mobility-Mass Spectrometry (IM-MS) NMR Spectrometer

Metabolite Analysis and Identification Data Package Powered by BOC Sciences

BOC Sciences offers a robust analytical package designed to decode the complexity of metabolite identity, kinetics, and biological relevance. Our deliverables combine high-resolution instrumentation with curated databases and bioinformatics support.

Acute Toxicity Testing

Structural Characterization

  • Structural Elucidation Report
    High-resolution MS and NMR analyses confirm molecular structures, formula, isotopic patterns, and metabolic modification sites.
  • MS/MS Fragmentation Spectra Chart
    Annotated spectra highlighting key fragment ions and neutral losses to support structure validation.

Renal Toxicity Testing

Quantitative Pharmacokinetics

  • Pharmacokinetic Data Summary
    Detailed parameters including Tmax, Cmax, AUC, T1/2, and clearance rates for metabolite exposure profiling.
  • Concentration-Time Curve Chart
    Visual representation of metabolite levels over time to track absorption, distribution, and elimination.

 Liver Toxicity Testing

Functional Pathway Mapping

  • Enzyme and Pathway Analysis Report
    Analysis of metabolite transformation routes and key enzymes involved, such as CYP450s and UGTs.
  • Pathway Enrichment Statistics Table
    Enriched biological pathways based on metabolomic shifts, with p-values, impact scores, and metabolite lists.

BOC Sciences' Metabolite Analysis and Identification Workflow

Requirement Understanding

1 Requirement Clarification

Engage with clients to clarify research goals, sample types, and expected data outputs (e.g., metabolite profiling, structure identification, biomarker discovery). Define project scope and determine if the study requires targeted or untargeted metabolomics.

Experimental Design

2 Analytical Strategy Design

Design a tailored analytical plan based on the research objective. Select appropriate platforms (e.g., LC-MS, GC-MS), ionization modes, and sample preparation methods to ensure optimal metabolite coverage and data quality.

Model System Construction

3 Sample Processing and Acquisition

Process biological samples using validated protocols for metabolite extraction and derivatization (if applicable). Acquire high-resolution data through established instrumentation (e.g., Q-TOF, NMR) under controlled experimental settings.

Pharmacological Testing Execution

4 Data Processing and Annotation

Apply advanced algorithms and software tools for peak alignment, deconvolution, and metabolite identification. Utilize MS/MS fragmentation patterns, isotopic ratios, and spectral libraries to support accurate structural assignments.

Data Collection and Analysis

5 Biological Interpretation

Conduct statistical and pathway-level analysis to reveal biologically relevant changes. Identify differentially expressed metabolites and link them to metabolic pathways, enzymatic reactions, or potential disease mechanisms.

Report Delivery

6 Result Reporting and Delivery

Deliver a comprehensive data package that includes raw data files, processed result tables, annotated spectra, concentration-time curves, and detailed interpretation summaries. Reports are tailored to support scientific publication and inform subsequent experimental design decisions.

What Are the Key Applications of Metabolite Analysis and Identification?

Drug Development

Supports pharmacokinetics, metabolite profiling, and toxicity assessment to optimize drug efficacy and safety profiles.

Disease Research

Enables biomarker discovery and metabolic pathway analysis to understand disease mechanisms and progression.

Nutrition Science

Analyzes nutrient metabolism and bioavailability to evaluate dietary impacts on health and metabolic regulation.

Environmental Science

Monitors metabolic changes in organisms exposed to pollutants, aiding ecological risk assessment and environmental monitoring.

Frequently Asked Questions

Frequently Asked Questions

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