The compound profile is predicted by virtual screening of a drug candidate molecule against hundreds of diverse proteins representing different active site types of a human proteome. Compound profiling provides a list of comprehensive prediction effects: identification of potential targets, prediction of therapeutic and adverse effects by screening a compound in silico against diverse protein sets representing the human proteome.
As a result we obtain Kd of the tested compound for every protein from our carefully preselected protein set. Active site types that show high affinity for the compound are considered as sensitive. On the second round of screening the tested compound is screened against all biologically important proteins with sensitive active site types and solved 3D structures.
Optionally, the screening can be run against specialized protein assays such as kinase assays. As opposed to the compound profiling in vitro/vivo, in silico compound profiling does not require synthesis and/or purchasing of chemicals. In addition, determination of cumulative effects takes from several months to several years, while virtual compound profiling does this within several hours or days. Finally, compound profiling in silico saves the lives of many animals.
Kinase profiling identifies prospective safe, effective and selective kinase inhibitors by virtual screening of a compound against our kinase profiling platform. Kinase profiling in silico does not require complicated and expensive synthesis of drug candidates and acquiring of kinase assays and kits (and cuts out the associated time-delays).
Our kinase assays represent practically all major kinase groups of the human kinome. The table below shows the number of kinase families from each group represented in our kinase platform.