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The bulk of my nearly three decades of experience up to that point was with drugging protein targets using a variety of modalities, but principally smallmolecules. Each yielded some insights; for example, fragmentscreening gave good hits, but advancing them against the conformational dynamism of RNA was problematic.
The mission of the CCDD is to discover novel small-molecule therapeutics for the treatment of cancer and progress them to hypothesis testing phase 1 clinical trials. In terms of compound libraries, we have a high-throughput screening library of about 200,000 ligands. We can screen with many different formats and modalities.
Testing Claude’s Molecule Generation Ability To test the molecule generation ability of Claude, a general-purpose LLM from Anthropic, I prompted it to generate analogs for hits from fragmentscreens. These fragment hits are smallmolecules with between 11 and 21 heavy atoms.
Our in-house SPR equipment comprises: 2x Biacore TM 8K+ 3x Biacore TM 8K 1x Biacore TM T200 This covers mM binders, such as fragments, through to sub pM interactions (such as late stage smallmolecules or very high affinity biological interactions, Tollenaere et al 2023 [link] ).
Marto SLAS Discovery, 2024 [link] Target-based screening of covalent fragment libraries with mass spectrometry has emerged as a powerful strategy to identify chemical starting points for smallmolecule inhibitors or find new binding pockets on proteins of interest.
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