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

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by 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.


We utilise our cutting-edge, exclusive workflow to develop focused 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
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:
p53-induced death domain-containing protein 1, recognized as Leucine-rich repeat and death domain-containing protein, is a key component in the cellular response to DNA damage or stress, operating under the influence of p53/TP53. It can either facilitate cell survival or lead to apoptosis. The protein is a part of the PIDDosome complex, essential for apoptosis initiation, and plays a role in the sumoylation and ubiquitination processes of IKBKG, vital for the activation of NF-kappa-B.

THERAPEUTIC SIGNIFICANCE:
This protein's association with Intellectual developmental disorder, autosomal recessive 75, highlights its significance in neuropsychiatric abnormalities and brain anomalies. The exploration of p53-induced death domain-containing protein 1's function offers promising avenues for the development of novel therapeutic approaches for managing such complex disorders.

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