AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Hsp90 co-chaperone Cdc37

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our high-tech, dedicated method is applied to construct targeted libraries for protein-protein interfaces.

 Fig. 1. The sreening workflow of Receptor.AI

The approach involves in-depth molecular simulations of the target protein by itself and in complex with its primary partner proteins, paired with ensemble virtual screening that factors in conformational mobility in both the unbound and complex states. The tentative binding pockets are identified at the protein-protein interaction interface and in distant allosteric areas, aiming to capture the full range of mechanisms of action.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q16543

UPID:

CDC37_HUMAN

Alternative names:

Hsp90 chaperone protein kinase-targeting subunit; p50Cdc37

Alternative UPACC:

Q16543; Q53YA2

Background:

The Hsp90 co-chaperone Cdc37, also known as Hsp90 chaperone protein kinase-targeting subunit or p50Cdc37, plays a pivotal role in cellular function by binding to numerous kinases. This interaction promotes kinase stabilization and activity through association with the Hsp90 complex. Additionally, Cdc37 modulates HSP90AA1 ATPase activity, showcasing its regulatory capabilities within the cell.

Therapeutic significance:

Understanding the role of Hsp90 co-chaperone Cdc37 could open doors to potential therapeutic strategies. Its critical function in kinase interaction and stabilization positions it as a key target for drug discovery, aiming to modulate protein activity for therapeutic benefit.

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