AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Protein DDI1 homolog 1

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q8WTU0

UPID:

DDI1_HUMAN

Alternative names:

-

Alternative UPACC:

Q8WTU0; Q7Z4U6; Q8WTS3

Background:

Protein DDI1 homolog 1, encoded by the gene with accession number Q8WTU0, plays a crucial role in cellular response to replication stress. It functions as a probable aspartic protease and acts as a proteasomal shuttle, facilitating the interaction between the proteasome and replication fork proteins such as RTF2. This protein, alongside DDI2, is essential for cellular survival under replication stress conditions by removing RTF2 from stalled forks, thereby allowing cell cycle progression and maintaining genome integrity.

Therapeutic significance:

Understanding the role of Protein DDI1 homolog 1 could open doors to potential therapeutic strategies.

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