WuXi AppTec offers a comprehensive platform of in silico drug discovery services to accelerate the process of hit finding and hit-to-lead optimization.  We provide access to virtual chemical spaces built from our library of novel drug-like scaffolds, to support virtual screening and structure-based virtual screening (SBVS). Advances in ML-empowered virtual screening allows project teams to …Read More >

GLUT1 serves as the conduit for transporting glucose from the extracellular milieu into the cell, thereby fueling cellular physiological activities via glucose metabolism. Its overexpression has been documented in various tumor cells, establishing GLUT1 as a promising therapeutic target. During an ASMS screening of GLUT1, a counter screen was introduced to effectively mitigate false positives …Read More >

Molecular glues possess the remarkable ability to induce protein-protein interactions. In the pursuit of targeting the CDK12/CCNK/DDB1 complex, an ASMS screening strategy was employed, resulting in the successful identification of two active molecular glues from a subset of 2000 small molecules within the WuXi AppTec compound library. Validation efforts revealed compelling findings: the two small …Read More >

Drug Discovery Chemistry Conference 2023 Powerful biophysical and structural biology tools enable the study of large numbers of covalent fragments and are opening up new possibilities in the treatment of various diseases. Here, Dr. Moran Jerabek-Willemsen, Head of Biophysics & Screening in WuXi Biology reports the results of a covalent FBDD project on Bruton’s Tyrosine …Read More >

https://www.nature.com/articles/s43586-021-00084-5  Abstract DNA-encoded chemical library (DECL) technology is used by the pharmaceutical industry to discover small molecules capable of modulating biologically relevant targets. DECL synthesis starts with an oligonucleotide that contains a chemical linker moiety, and proceeds through iterative cycles of DNA barcode elongation and chemical synthesis. DECL selections require little protein, minimal assay development …Read More >

Fragment-based drug discovery (FBDD) is a method used for finding hit compounds as one strategy of hit identification in the drug discovery process. Fragments are small molecules with a low molecular weight, smaller than lead molecules or druglike molecules. The FBDD technology is based on identifying small chemical fragments, which bind to the biological target …Read More >

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