Fragment-based lead discovery (FBLD) is an efficient modern approach to drug discovery. It is based on screening relatively small fragment libraries (typically, a few thousand compounds) and identification of potential hits that may bind only weakly to the biological target (millimolar affinities can be considered significant enough). The reduced size and complexity of those molecules allow more efficient chemical space sampling. The subsequent growing and/or combining of the fragments leaves more opportunities to produce a lead with a higher affinity and improved physicochemical properties [1-5].
The Life Chemicals General Fragment Library comprises about 58,400 fragments with MW ≤ 300 and ClogP ≤ 3.0, readily available in stock for fragment-based drug discovery projects. All reactive and unstable molecules were filtered out.
Additionally, two non-overlapping Diversity Screening Sets of 3,200 and 1,600 structurally-diverse fragments were prepared to provide the most-promising drug-like screening compounds for fragment-based lead generation in a convenient manner. These fragment-like molecules possess a wide range of chemical structure dissimilarity and are compliant with in-house MedChem and PAINS structural filters [6-7]. The fragment compounds in these two screening setsare complementary and do not overlap, so they can be combined to create a more extensive fragment diversity library of 4,800 screening compounds.
Our chemical space is further expanded by the Collection of Tangible Fragments of over 230,000 virtual fragment-like molecules to be readily synthesized through in-house developed and validated synthetic procedures (feasibility over 75%).
The compound selection can be customized based on your requirements, cherry picking is available.
Please, contact us at firstname.lastname@example.org for any additional information and price quotations.
Representative fragment molecules from General Fragment Library
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- Williams G1, Ferenczy GG2, Ulander J3, Keserű GM4. Binding thermodynamics discriminates fragments from druglike compounds: a thermodynamic description of fragment-based drug discovery // Drug Discov Today. 2017 Apr;22(4):681-689. doi: 10.1016/j.drudis.2016.11.019.
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- Baell J. B.; Holloway G. A. New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays.J. Med. Chem. 2010, 53, 2719–2740.