Metabolism Studies

Metabolite investigations impact both the discovery and development timelines of drug research. Current competitive pressures are challenging analytical groups to transform raw data into final reports ever faster. The major bottlenecks lie in the tedious data processing and data management tasks that must be performed by the analysts. Software can speed the process of metabolite analysis in the following ways:

Accelerate LC/MS Data Processing and Interpretation

Spend time working on high level problems instead of being immersed in tedious data processing. Advanced LC/MS processing algorithms can help users reliably extract trace component signals from background noise and eluent signals, as well as compare multiple samples, finding only those showing different profiles due to metabolic contributions. Automatic assignment of MS fragments allow users to get a head start on the analyses of observed fragmentation patterns, and obtain insight into possible fragmentation and rearrangement pathways.

• Extract low intensity signals from noise and compare samples analyzed with LC/MS.
• Assign and elucidate metabolites with MS data.
• Support the predominant analytical techniques and data formats in one homogeneous platform over a wide range of instrument models and techniques.

Relevant Links:
Read more about Advanced Processing Algorithms for LC/MS, Structure Elucidation by MS, and Accepted Data Input Formats.

Streamline Information Management with a Single Software Platform

Over the course of a metabolite study, huge amounts of data are collected using different techniques and instrument models. How can all this data from different sources be efficiently organized and distributed? ACD/Labs software provides a single software platform that can:

• Manage interconnected HPLC, MS, NMR, and UV data, with fully or partially elucidated chemical structures, in one homogeneous platform.
• Build biotransformation pathway diagrams that visually link observed metabolites, incorporating properties such as toxicology values and metabolism yields.
• Provide shared access to experimental data, methods, and results through a corporate intranet for authorized personnel and sites.

Relevant Links and Software:
Read more about analytical informatics and data management. See more information about creating and storing biotransformation or reaction maps with ACD/ChemFolder.

Eliminate Repeated Experiments and Instrument Downtime When Developing Chromatographic Methods

Chromatographic separation of the parent drug from its metabolites is necessary for the identification and evaluation of the metabolites. Many laboratories use generic separation methods to separate the majority of compounds, and when generic methods fail, further method development is required. Software can assist with the selection of generic separation methods and chromatographic method development, significantly improving sample throughput. Read more about our solutions for chromatography.

Facilitate Communication of Results

Reporting results is a necessary yet tedious part of the scientific process. A single software package that allows you to assemble data from different sources in a uniform way can be very helpful. All of ACD/Labs' software work seamlessly with Microsoft® Office products and help you format your spectra, tables, and structures without headaches. Click for more information about Analytical Reports and Publishing.

Download our flyer describing metabolism solutions in Adobe .PDF format: "Accelerating Drug Metabolite Studies with Software-aided Approaches"