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Quantum Presents Lead Selectivity and Profiling Testing Services
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Quantum pharmaceuticals has announced the launch of Lead Selectivity Test, aimed at determination of IC50 (inhibition constant) of a compound against every protein from the panel.
The proteins are selected to represent maximum binding site diversity and broadest coverage of biological functions.
The compound structures are confidentially provided by customer in any of popular file or database formats. Customer selects proteins from the list offered by Quantum or submits own protein structures.
Quantum suggests a default profile, which contains two thousands preselected proteins.
The protein panel can be expanded or adjusted on demand, e.g. for screening against all proteins of a certain type such as kinases etc.
The results will contain IC50 values of the compounds for selected proteins. For every compound with calculated affinity less then u-mol the following information will be additionally provided: type of the protein active site, a list of similar proteins, tissues, which can be affected, as well as information about related diseases.
The coordinates of the ligand in the protein binding site and the details of intermolecular interactions in the protein-ligand complex are also available.
The calculations are performed with the help of Quantum Pharmaceuticals molecular modeling computational platform.
The calculations are rooted in first principles molecular physics and thermodynamics.
The validation research shows accuracy on the level of 15% relative error in the free energy, which is on the same level of accuracy of in-vitro assays. The calculations are available for every protein with resolved 3D structure.
Quantum uses a maximum diverse protein assay panel designed to ensure medical relevance and predictive value.
The panel includes a variety of receptors and enzyme classes. It helps to evaluate selectivity and potency of compounds against specific assay targets and predict their potential for contributing to adverse events.
The analysis may be suggestive of alternative therapeutic applications. With the demand to fail fast, fail cheap, using the Quantum profiling technology will guide strategic decisions regarding the drug development pathway.
