De Novo Drug Design, Multi-Target Drug Design and Activity Profiling
The binding interactions of proteins and ligands arise from a variety of steric and electrochemical factors. Understanding these interactions can help researchers more rapidly identify promising new therapeutic candidates. Pharmacophores map these features in 3D space, providing a simple means to screen libraries of compounds virtually, characterize the binding of existing leads and optimize their performance.
BIOVIA Discovery Studio utilizes the CATALYST Pharmacophore Modeling and Analysis toolset to assist in the assessment of small molecule therapeutics with or without target-structured data. It supports de novo drug design, multi-target drug design and activity profiling to drive small molecule R&D.
Conduct robust Pharmacophore screening studies
Discovery Studio now includes the most extensive reported database for ligand profiling. Built from, and validated using, the scPDB*, the PharmaDB contains approximately 240,000 receptor-ligand pharmacophore models.
Design and characterize your ligands and combinatorial libraries
Accelerate your drug discovery with BIOVIA Discovery Studio.
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