Fragment-based drug discovery (FBDD) has emerged over the past decade as a powerful method for discovering drug leads and it has played an essential role at different stages of drug development. Unlike HTS, FBDD is used to find fragment-like hits (molecular weight less than 300) that typically bind with low affinity. A diversity of sensitive detection approaches are therefore required, such as X-ray crystallography, NMR, surface plasmon resonance (SPR) or mass spectrometry.
Compared to traditional HTS or virtual screening, our Featured Fragment Library offers several attractive features, including higher hit rates, higher binding efficiency, and further structure optimization for drug candidates. The design and synthesis of our Featured Fragment Library is able to provide multiple starting points.
Our Services
To make it easier and better for researchers, BOC Sciences has designed a Featured Fragment Library containing multiple compound collections. We have prepared the most convenient services for you.
Natural Product-like Fragment Library
Enriching small libraries of compounds with compounds possessing structural motifs validated by nature enables to generate better molecular profiles and improved biological responses. We have employed a scaffold tree approach to our Universal Natural Product Database to extract an initial set of scaffolds to design our Natural Product-like Fragment Library.
PPI Fragment Library
Protein-protein interactions (PPIs) regulate most aspects of the life cycle and are the most attractive and promising area of drug development. Recent studies in the field of PPI fragments have shown that PPI fragments have higher molecular weight due to their larger contact surface area. Therefore, BOC Sciences adopts PPI fragments with larger molecular weight and are more lipophilic. Moreover, they usually contain moieties corresponding to various hot-spots. A diversity of machine learning methods and validated descriptors are used to optimize our PPI Fragment Library.
Chelator Fragment Library
The design, synthesis and application of FBDD based on metal chelators are of great scientific significance. A variety of small molecule chelators have been shown to effectively inhibit metalloproteins associated with many diseases. At BOC Sciences, different metal-binding strategies are available including redistribute metals, inhibit metalloenzyme functionnhance metal reactivity and assivate metal reactivity.
Poised Fragment Library
Nowadays, Cys residues have brought new possibilities for the discovery and synthesis of novel covalent modifiers. Our experienced teams use a deep knowledge-based approach combined with attractive scaffolds and well-validated covalent warheads, to design and synthesize our unique Cysteine Focused Fragment Library.
Fully Functionalized Probe Library
Fully functionalized probes can simplify and accelerate the drug development process since introduction of diazine-like photocrosslinking moieties and functional acetylene groups allows direct screening of compounds in cells. BOC Sciences has utilized small molecules bearing photoreactive groups and latent affinity handles to create fully functionalized probes for performing phenotypic screening and target identification.
Single Pharmacophore Fragments
Pharmacophores are a type of polar groups or other moieties used to bind proteins. Compared to fragments with multiple and distally separated functional groups, fragments with a single pharmacophore can maximize the benefits of FBDD by increasing the synthetic ability of fragment growth in subsequent steps of the hit. We therefore constructed a high quality Single Pharmacophore Fragment Library.
Carboxylic Acid Fragment Library
Carboxylic acid fragments have high binding affinity to many ‘hot spot’ residues, leading to great potential to find hits on new and difficult targets, such as protein-protein interactions. BOC Sciences has therefore established a Carboxylic Acid Fragment Library with high novelty and core diversity of carboxylic acid fragment to discover initial hits with high solubility and good membrane permeability.
What We Deliver
- Featured Fragment Libraries are constructed in different size and design intention according to different projects
- Comprehensive support in developing your hit compounds
- All compounds have a minimum purity of 90% assessed by 1H NMR
- Analytical data is available
BOC Sciences provides professional, rapid and high-quality services of Featured Fragment Library design at competitive prices for global customers. Personalized and customized services of Featured Fragment Library design can satisfy any innovative scientific study demands. Our clients have direct access to our staff and prompt feedback to their inquiries. If you are interested in our services, please contact us immediately!
Reference
- Zsófia, H.; et al. Identification of β-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation. Chemical Science. 2021. 12: 2286-2293.
- Galmozzi, A.; et al. Discovery of Modulators of Adipocyte Physiology Using Fully Functionalized Fragments. Methods in Molecular Biology. 2018. 1787:115-127
