Virtual Screening Strategies for Identifying Novel Chemotypes

In their recent article in Journal of Medicinal Chemistry, Stuart Lang and Martin Slater review in silico approaches for identifying potential starting points for drug discovery.

They discuss strategies for ligand and structure-based virtual screening and review the information needed as a starting point for each. They also examine approaches to maximising the diversity of molecules to progress from a virtual screen, in order to increase the likelihood of finding an active molecule.

The article also explores recent developments in ultra-large chemical spaces, requiring scalable approaches to virtual screening.

Read the full article ‘Virtual Screening Strategies for Identifying Novel Chemotypes’ as published in Journal of Medicinal Chemistry.