NatureQuery is free pharmacophore search software for screening natural product libraries. NatureQuery can import LigandScout and MOE pharmacophore definitions, as well as identify pharmacophore features directly from structure.
The natural product libraries available for screening are:
From PDB structure
Targeting a protein-protein interaction? Design a pharmacophore from the PPI with PocketQuery.
NatureQuery is built on the ZINCPharmer framework developed at the University of Pittsburgh, and uses the Pharmer open source pharmacophore search technology to efficiently search a large database of fixed conformers for pharmacophore matches. The search performance scales with the complexity and breadth of the pharmacophore query. Most searches take less than a minute. Visit the ZINCPharmer site for helpful resources including a user guide, forum, interactive examples, and video tutorials.