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:

  • AfroDb - African Medicinal Plants (947 cpds)
  • Antibas3 - Proprietary Natural Product Library (18022 cpds)
  • Antibiotica - Proprietary Natural Product Library (504 cpds)
  • BioPhytMol - Antimycobacterial Phytomolecules and Plant Extracts (622 cpds)
  • CamMedNP - Cameroonian Medicinal Plants (1793 cpds)
  • ConMedNP - Central African Medicinal Plants (3112 cpds)
  • CVDHD - Cardiovascular Disease Herbal Database (34719 cpds)
  • MEGx - Analyticon Discovery Microbial and Plant Natural Products (4709 cpds)
  • NPACT - Naturally Occurring Plant-based Anti-cancer Compounds (1556 cpds)
  • NuBBE - Brazillian Biodiversity Natural Products (1452 cpds)
  • SANCDB - South African Natural Compounds (591 cpds)
  • TCMDB_Taiwan - Traditional Chinese Medicine Database @ Taiwan (59485 cpds)
  • TCMID - Traditional Chinese Medicine Integrated Database (12249 cpds)
  • UNPD - Universal Natural Products Database (227910 cpds)
From PDB structure

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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.