The idea for a target can come from a variety of sources including academic researches, or researches from the commercial sector. The initial research generates data to develop a hypothesis that the activation of a protein will result in a therapeutic effect in a disease state. The outcome of this activity is the selection of a target which may require further validation prior to progression into the lead discovery phase.
The decisions to progress a hit into a lead and then into an optimized lead are crucial, as the downstream optimization phase may take years and require considerable financial investment.
Biocorpora : select criteria, run queries and create lists of hit molecules
It is important to set clear, well-considered criteria to identify molecules with suitable characteristics to make acceptable drugs.
Biocorpora users can easily build and run queries to create lists of promising compounds against any kind of dataset (screening, ADME, functional assays…). Biocorpora provides off-the-shelf several data fields from which you can choose and define your own criteria. Search filters include the structure (exact or partial structures searches), the sequence (exact or similarity searches), or assay results details.
Users also can select one or more properties at the same time and create a list of promising hits which to include into the SAR table generation process.
Biocorpora : SAR table generation process
There is a correlation between chemical structure and biological activity. Structurally similar compounds may have similar biological properties; this principle is referred to as Structure Activity Relationship (SAR).
Biocorpora SAR Tables consist of a description for each compound, a sum-up of their physical properties and biological activities. Biocorpora users review the table by sorting, analyzing, and even graphing structural features in order to find possible relationships.
SAR table is a powerful tool to understand functional implications when similarities are found, to predict many compound properties and draw conclusions about unknown compounds. It is applied both to prioritize compounds as well as discover new compounds.
Biocorpora SAR Tables enables to process large compound sets. SAR Tables are easily generated and summarize biological information to easily compare biological results and identify compounds with the best overall profile.
Biocorpora SAR Tables are built to work with chemical structures as easily as with numerical values. The “Export to Excel” button allows exporting all chemical and numerical information into spreadsheet format for easy visualization and sorting. The “Export to SDF” button allows visualizing your data into chemical analysis software such as DataWarrior.
Biocorpora also build graphs and concise visual representations to uncover trends, compare datasets and make data easier to understand.
Learn more about Biocorpora, contact us.