Focused On-demand Library for NACHT, LRR and PYD domains-containing protein 9

Details

Focused On-demand Libraries - Receptor.AI 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.


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.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.


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
Q7RTR0

UPID:
NLRP9_HUMAN

ALTERNATIVE NAMES:
Nucleotide-binding oligomerization domain protein 6; PYRIN and NACHT-containing protein 12

ALTERNATIVE UPACC:
Q7RTR0; B2RN12; Q86W27

BACKGROUND:
The NACHT, LRR, and PYD domains-containing protein 9, known alternatively as Nucleotide-binding oligomerization domain protein 6 or PYRIN and NACHT-containing protein 12, plays a critical role in the body's defense mechanism. It initiates the formation of the NLRP9 inflammasome in response to pathogenic attacks, facilitating the maturation and release of IL1B and IL18 cytokines. These cytokines are key to promoting inflammatory responses and can lead to pyroptosis. The protein's interaction with viral double-stranded RNA, especially short dsRNA segments, is crucial for its activation.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of NACHT, LRR, and PYD domains-containing protein 9 reveals promising avenues for the development of novel therapeutic interventions.

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