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A Data-Driven Journey to Novel NET Inhibitors - via REAL Compounds

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Solute carriers (SLCs) have often been overshadowed by more prominent protein families in drug discovery, such as kinases and G protein-coupled receptors. However, SLC proteins hold significant therapeutic potential due to their role in various diseases. Among them, the high-affinity norepinephrine transporter (NET/SLC6A2) has received considerable attention, but the limited chemical diversity of known ligands presents a challenge for identifying novel compounds. The new article published in Journal of Chemical Information and Modeling explores a computational screening pipeline developed to discover new NET inhibitors, utilizing a data-driven approach to expand known chemical space and optimize target selection.

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AI Takes on DNA-encoded Chemical Libraries

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The interest of pharmaceutical companies in DNA-encoded chemical libraries (DEL) technology has been growing over the years, with numerous organizations now having their own screening programs using DELs, or outsourcing capabilities from specialized DEL providers.

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