Focused On-demand Library for Protein DDI1 homolog 1

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q8WTU0

UPID:
DDI1_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q8WTU0; Q7Z4U6; Q8WTS3

BACKGROUND:
The Protein DDI1 homolog 1, with the unique identifier Q8WTU0, is implicated in the maintenance of genome integrity through its probable function as an aspartic protease. It serves as a critical link between the proteasome and replication fork proteins, notably RTF2. In collaboration or redundancy with DDI2, it ensures cellular survival following replication stress by facilitating the removal of RTF2 from stalled replication forks, thus enabling cell cycle progression and preserving genomic stability.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Protein DDI1 homolog 1 unveils new avenues for the development of innovative therapeutic approaches.

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