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Macrocycles library 2727

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The growing interest in medium- and large-sized macrocycle molecular structures is increasingly evident within the realm of drug discovery, particularly due to their relevance in targeting protein-protein interactions (PPIs) as promising therapeutic avenues. Recognizing their potential, ChemDiv has adopted two innovative methodologies for the design and synthesis of a macrocyclic peptidomimetic library, aimed at harnessing the unique properties of these compounds for modulating PPIs.

The first approach leverages the Bormann-Wasserman strategy (BWS) for ring expansion, facilitating the synthesis of 10-12-membered lactams. This method provides an entry point to a plethora of functionally enriched, spiro, and fused scaffolds, expanding the chemical space accessible for drug discovery. These scaffolds are particularly attractive due to their structural complexity and potential for high affinity binding to protein targets, which is often a challenge with smaller molecules.

The second methodology implemented by ChemDiv research teams involves click-macrocyclization of linear peptidomimetics. This technique utilizes linear precursors bearing acetylene and azide functionalities at their termini to form 14-22 membered macrocyclic peptidomimetics through a highly efficient and selective cyclization process. The resulting macrocycles exhibit enhanced structural diversity and are specifically tailored for effective PPI modulation.

Through these sophisticated synthetic strategies, ChemDiv has successfully developed a novel and diverse set of macrocyclic scaffolds. The library now boasts over 3,000 stock-available molecules, each a potential modulator of protein-protein interactions. This vast collection not only underscores the versatility of macrocycles in drug discovery but also opens new pathways for the identification of potent therapeutic agents capable of intervening in complex biological processes governed by PPIs. The emphasis on medium- and large-sized macrocycles reflects a strategic shift towards exploring new molecular frameworks that can overcome the limitations of traditional small molecules and peptides, providing a rich resource for the development of next-generation therapeutics.
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