Fragment Libraries

Fragment-based drug discovery (FBDD), also known as fragment-based lead discovery, is gaining momentum as a complementary...

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Fragment Libraries

Fragment-based drug discovery, also known as fragment-based lead discovery, is gaining momentum as a complementary approach to traditional screening. This is because significantly fewer compounds are required to be synthesized and screened by fragment-based approaches. A high success rate is also shown in generating chemicals with lead-like properties. The starting fragments have low molecular mass when compared with other traditional screening hits. Although the binding interactions of these fragments with a target protein are weak, they can be structurally understood through multiple techniques and exhibit high “ligand efficiency”.

Application of Fragment Libraries

As an efficient method to accelerate the process of drug discovery, fragment screening has been widely recognized in academic and commercial fields. The FBDD method usually first determines the affinity of a water-soluble small molecule compound (relative molecular mass<300, ie, a fragment molecule). Although the binding force is weak (usually a few hundred micromolar or millimolar level), the combination is mostly driven by a hydrazine factor such as a hydrogen bond or a salt bond, so that the atomic utilization ratio of the compound is high and the number of redundant atoms is small. Structural biology (X-ray diffraction or 2D-NMR) is used to show the spatial orientation and binding characteristics of the fragment in the target protein. Under the guidance of the microstructure, the binding strength is increased by the growth or linkage of the fragments, and the lead compound molecules with high activity and high quality are obtained.

Our Services

Following the most promising current tendencies in fragment based approach to drug discovery, BOC Sciences has prepared a selection of its unique subsets given below:

  • Fragment Library with Solubility Data
  • Natural Product-like Fragment Library
  • Fsp3-enriched Fragment Library
  • Fluorine Fragment Cocktails
  • Low MW Fragment Library
  • Covalent Fragment Library
  • Bromine Fragment Library
  • Fluorine Fragment Library
  • General Fragment Library
  • Ultimate Fragment Library
  • PPI Fragment Library
  • 3D Fragment Library

BOC Sciences’ fragment libraries set offers various compounds that can be individually selected based on customs’ criteria, allowing researchers to build fragment sets of size and composition best suited to their research methodologies. BOC Sciences offers world class service in chemical synthesis of a wide variety of organic compounds on the milligram to kilogram scale at competitive price.

Reference:

  1. Spiliotopoulos, D. , & Caflisch, A. . (2016). Fragment-based in silico screening of bromodomain ligands. Drug Discovery Today: Technologies, S1740674916300051
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