Description: Covalent inhibitors are small molecules that can bind specifically to target proteins through covalent bonds and inhibit their biological functions. Although for a long time, covalent targeting has been playing a subordinate role in drug discovery, with an increasing number of reports on successful clinical applications of such drugs, the potential of these agents is now being acknowledged.
Covalent inhibitors are small molecules that can bind specifically to target proteins through covalent bonds and inhibit their biological functions. Although for a long time, covalent targeting has been playing a subordinate role in drug discovery, with an increasing number of reports on successful clinical applications of such drugs, the potential of these agents is now being acknowledged.
Covalent ligands rely on reactive groups (“warheads”), and new warheads are key to expanding the scope of covalent modalities. Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 8,900 fragment molecules with covalent modification potential, which can target various reactive amino acid residues and can be used for fragment-based covalent drug discovery.
Advantages:
- A unique collection of 8,900 fragments that show covalent binding with target proteins for high throughput screening (HTS).
- Careful choice of warheads: only experimentally confirmed reactivity, no over-reactive warheads, no alternative reactive functionalities.
- A useful tool for the fragment-based approach to drug discovery (FBDD).
- All compounds are available off the shelf.
- LCMS or NMR validated to ensure high purity and quality.
Formulation: This fragment library containing fragments with various warheads targeting different covalent residues.
Layout: 96-well storage tube or 96-well plate: 1st and 12th column are left empty. 384-well plate: the first two columns and the last two columns are left empty. Compounds with different concentrations or dissolved in different solvents will be put on separate plates. This way of layout may increase the number of plates because there could be three solvents and three concentrations. If you have other requirements, please let us know.
Container: 96- or 384-well Plate with Peelable Foil Seal; 96-well Format Sample Storage Tube With Screw Cap and Optional 2D Barcode.
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