Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 Reaxense.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


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


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
Q15274

UPID:
NADC_HUMAN

ALTERNATIVE NAMES:
Quinolinate phosphoribosyltransferase [decarboxylating]

ALTERNATIVE UPACC:
Q15274; Q53XW7; Q96G22; Q9BSG6

BACKGROUND:
The enzyme Nicotinate-nucleotide pyrophosphorylase [carboxylating], alternatively known as Quinolinate phosphoribosyltransferase [decarboxylating], is integral to the breakdown of quinolinic acid. This process is essential for maintaining the balance of NAD+, a critical coenzyme in energy transfer and metabolic processes within the cell.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Nicotinate-nucleotide pyrophosphorylase [carboxylating] offers a promising avenue for developing new therapeutic approaches. Its key role in NAD+ biosynthesis and metabolism highlights its potential in addressing metabolic disorders and enhancing cellular health.

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