Focused On-demand Library for Protein DDI1 homolog 2

Focused On-demand Libraries - Reaxense 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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 employ our advanced, specialised process to create targeted 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.

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

Reaxense

upacc

Q5TDH0

UPID:

DDI2_HUMAN

Alternative names:

Alternative UPACC:

Q5TDH0; A8KAE1; Q7RTZ0; Q9BRT1

Background:

Protein DDI1 homolog 2, encoded by the gene with accession number Q5TDH0, plays a crucial role in cellular mechanisms. It functions as an aspartic protease, facilitating the cleavage of NFE2L1/NRF1, which is essential for its release from the endoplasmic reticulum membrane. This process is vital for cellular response to stress, involving the ubiquitination and subsequent recognition of NFE2L1/NRF1. Additionally, it acts as a proteasomal shuttle, linking the proteasome with replication fork proteins and is indispensable for cellular survival under replication stress.

Therapeutic significance:

Understanding the role of Protein DDI1 homolog 2 could open doors to potential therapeutic strategies.