Poster Presentation Royal Australian Chemical Institute National Congress 2026

Effective drug discovery requires informed decision-making based on comprehensive, structured, and harmonized data. We herein showcase how the CAS BioFinder Discovery Platform™--a solution designed to streamline the overall drug design, discovery, and development process by integrating key resources in one platform—can enable the efficient exploration of therapeutic targets for disease treatment. Here, we demonstrate the capabilities of CAS BioFinder™:

• Access to all published activity data for ligands targeting specific proteins and diseases
• Identification of molecular scaffolds from the most potent ligands against a target,
• Analysis of local structure-activity relationships (SAR) to investigate how well-defined structural modifications influence compound properties
• Prioritization of known and novel compounds based on predictive molecular characteristics and off-target activity assessments
• Visualization of protein crystal structures to analyze binding pockets and guide rational drug design
• Exploration of disease modulation strategies through access to relevant biomarkers

By consolidating these critical research components, our approach could enhance the efficiency of target evaluation and accelerate the development of novel drugs, bringing with it a specific impact for the medicinal chemist.