Combining Ligand- and Structure-Based Methods for More Effective Virtual Screening
Optibrium’s dual approach yields gains in efficiency and confidence in results. By Tamsin Mansley, PhD.
In drug discovery, virtual screening is a fast and cost-effective way of narrowing down vast chemical libraries to identify the most promising hits, reducing synthesis and testing requirements while improving research efficiency.
Virtual screening serves two distinct purposes. Advances in computational power and data availability have enhanced the performance and efficiency of these methods, increasing their adoption and furthering their impact in discovery workflows.
Virtual Screening Methods
Virtual screening methods fall broadly into two categories: ligand- and structure-based.
- Ligand-based virtual screening doesn’t require a target protein structure, instead, it leverages known active ligands to identify hits that show similar structural or pharmacophoric features.
Combining both methods yields more effective results.
Author summary: Effective virtual screening approach.
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