Combining Ligand- and Structure-Based Methods for More Effective Virtual Screening
By Tamsin Mansley, PhD. Optibrium’s dual approach yields gains in efficiency and confidence in results.
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 and can be categorized into two methods: ligand- and structure-based.
Ligand-Based Virtual Screening
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.
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.
Optibrium’s dual approach yields gains in efficiency and confidence in results.
Author's summary: Combining ligand and structure methods enhances virtual screening.