Matched Molecular Pair Analysis (MMPA)
Analyzing structure-activity relationships (SAR) just got a lot easier thanks to the new Matched Molecular Pair Analysis (MMPA) visualizations in CAS BioFinder. Accessible through the scaffold page, you can select a protein target and the site on the scaffold to examine. The display shows a color-coded matrix of the change in pActivity induced by the exchange of an R-group on the left with an R-group from the top. By hovering over a matrix cell, you can see the full ligand structures and the activity change, or use a filter to focus on parts of the matrix that correspond to a range of activity changes. This allows you to identify patterns and trends related to the substitution of side chains across the scaffold and assists in the design of novel molecules to be tested.