Focused On-demand Library for p53-induced death domain-containing protein 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening 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

Reaxense

upacc

Q9HB75

UPID:

PIDD1_HUMAN

Alternative names:

Leucine-rich repeat and death domain-containing protein

Alternative UPACC:

Q9HB75; Q59FD1; Q59H10; Q59HC7; Q7Z4P8; Q8NC89; Q8NDL2; Q96C25; Q9NRE6

Background:

The p53-induced death domain-containing protein 1, also known as Leucine-rich repeat and death domain-containing protein, plays a pivotal role in the DNA damage/stress response pathway. Functioning downstream of p53/TP53, it has the dual capability to promote cell survival or apoptosis. This protein is integral in forming the PIDDosome complex with CRADD and CASP2 caspase, triggering apoptosis, and is also involved in enhancing the sumoylation and ubiquitination of IKBKG, crucial for NF-kappa-B activation.

Therapeutic significance:

Linked to Intellectual developmental disorder, autosomal recessive 75, with neuropsychiatric features and variant lissencephaly, understanding the role of p53-induced death domain-containing protein 1 could open doors to potential therapeutic strategies. Its involvement in critical cellular pathways underscores its potential as a target for therapeutic intervention in related disorders.