Thumbnails:
List:
Year:
Category:
Session:
Poster:
Getting poster data...
Liying Zhang, Veer Shanmugasundaram, and Robert Stanton (Pfizer Inc)
Structure-Activity Relationship (SAR) analysis is a key component in early drug discovery, including both small molecule and peptide research, to improve the biological properties of chemicals and facilitate the discovery of better drug candidates. While many methods and software tools have been developed to analyze small molecule SAR, the size and complexity of peptide / peptidomimetic structures requires novel tools. In this work, an automated Pipeline Pilot protocol was developed to decompose peptides into individual amino acids, which enhances the ability to compare peptide structures. Additionally, an interactive SAR visualization tool was created in TIBCO Spotfire to connect the peptide R group decomposition results with biological properties, such as potency, and ADMET. A complete understanding of peptide SAR for a specific drug target allows for the design of novel peptides with improved properties.