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Natural Product-like Fragments

Source of biologically validated starting points

4 160 compounds

Screening of natural products has inspired discovery of remarkable number of drugs. Enrichment of small libraries with compounds possessing structural motifs validated by nature allows reaching better molecular profile and improves biological response. A special place in drug development should belong to Natural Product-like Fragments as promising starting points within attractive chemicals space.

Key features

  • Scaffold Tree approach was applied to the Universal Natural Product Database (UNPD) comprising over 200K compounds to extract initial Scaffold Set.
  • MedChem structural filters and refinements were used in order to remove trivial chemotypes, PAINS and overpopulated cores resulting in the Reference Scaffold Set with 550 structures.
  • Substructure and similarity searches were applied to extract compounds bearing natural-like cores and moieties. Scaffold frequency analysis was carried out to finalize and optimize fragment library.
Option
Catalog ID
Compounds
Plates
Amount
Format

Option

1

Catalog ID

NPL-4160-Y-10

Compounds

4 160

Plates

13

Amount

10 µL of 10 mM DMSO stock solutions

Plates and formats

384-well microplates, 320 cpds per plate, first two and last two columns empty

Option

2

Catalog ID

NPL-4160-X-50

Compounds

4 160

Plates

52

Amount

50 µL of 100 mM DMSO stock solutions

Plates and formats

96-well plates, Greiner, first and last columns empty

Option

3

Catalog ID

NPL-4160-X-100

Compounds

4 160

Plates

52

Amount

100 µL of 10 mM DMSO stock solutions

Plates and formats

96-well microplates, 80 cmpds per plate

Examples of the molecules

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