PROTAC is a new class of compounds that tend to have quite a large structure and their metabolic studies could be challenging. Here we are presenting the use of MassMetaSite / WebMetabase in the study of the in-vitro metabolism of a PROTAC compound showing the...
How much the metabolite identification can be automize is a question that many customers have asked us many times in the latest years. Firstly, we provided first the possibility to compute a batch of experiments in MassMetaSite alone or in connection to WebMetabase, but this solution needed to generate a...
One of the keys aspects of today Drug Discovery is the ability to put the data into the context of the intended use of the it and how to extract information from the data. This can be done in a better way when data can be combined...
Mass Spectrometry Imaging is an established and powerful MS technique that enables molecular mapping of tissues and cells finding widespread applications in academic, medical, and pharmaceutical industries. Through user-friendly implementation of image visualization and co-registration, univariate and multivariate image and spectral analysis, and for the...
The combination of high spatial resolution and throughput MALDI imaging capabilities with high-performance Trapped Ion-Mobility Spectrometry (TIMS) separations provides a uniquely tunable platform to address many challenges associated with advanced molecular imaging applications. The capabilities of such TIMS-based platform provide a critical need to the...
Tissue distribution studies of drug and drug metabolites is a key step in the drug development pipeline. Mass Spectrometry Imaging is an established and powerful MS technique that enables mapping of drugs and metabolites directly from tissue without target specific labels or reagents. To achieve...
Peptides therapeutics are gaining a significant role on the pharmaceutical market due to their high selectivity and efficacy. However, natural peptides often must be optimized to improve their ADME properties by cyclisation, introduction of chemically modified amino acids or other modifications. Moreover, they can be...
Peptides therapeutics are becoming increasingly important on the pharmaceutical market. However, it is known that peptide drugs bioavailability and stability are lower than for small molecules. It is highly important to understand peptide drug metabolism and optimize its clearance as it influences the drug safety...
In complicated chemical reactions, like synthesis of PROTACs, the accidental generation of undesired byproducts can occur even if the conditions are well controlled (i.e. the unexpected degradation of one of the products, the interaction of solvent, catalysts and impurities with reactants, etc.). Reaction Tracking workflow...
Waters UNIFI Scientific Information System encompasses data acquisition, processing, visualization, reporting, and other tools within a networked laboratory environment. Prior MassChemSite 3.0, data providing from UNIFI specific instruments, like VION or the latest BioAccord LC-MS System. In this talk we will show how to configure...