Accelerating Peptide Discovery
Copyright 2012: CMD Bioscience. Computational Biotechnology. All rights reserved.
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Caspase-3 is one of the key executioners of apoptosis, being responsible for the proteolytic cleavage of many key proteins. Caspase-3 is implicated in the apoptotic death of many mammalian cell types. Defects in apoptosis leads to some neurodegenerative disorders, ischemic injury, and cancer.
Here we applied CMDescoreSM to derive delta-deltaGs (Kcal/mol) as a surragte of binding affinities PTH(1-34) and PTH(15-34)-NH2 and 13 alanine-scan peptides. Then we compared them to AlphaScreen single point competition assay results assessing the ability of PTH(15–34)NH2 alanine-scan peptides (20M) to compete the interaction of biotin-PTH (23 nM) with MBP-PTH1R-ECD.
Peptide design predictions were synthesized and experimentally tested for inhibitory activity in a chromogenic protease assay.
