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.


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 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 screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Q9BRQ3

UPID:
NUD22_HUMAN

ALTERNATIVE NAMES:
Nucleoside diphosphate-linked moiety X motif 22

ALTERNATIVE UPACC:
Q9BRQ3; C9JY06; Q71RD5

BACKGROUND:
The enzyme Uridine diphosphate glucose pyrophosphatase NUDT22, alternatively named Nucleoside diphosphate-linked moiety X motif 22, is essential for the hydrolysis of UDP-glucose and UDP-galactose to their respective monophosphate sugars and UMP. This process is crucial for maintaining the balance of sugar nucleotides in cells, thereby influencing numerous metabolic functions.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of Uridine diphosphate glucose pyrophosphatase NUDT22 holds promise for identifying new therapeutic approaches. Given its key role in metabolic regulation, targeting NUDT22 could lead to innovative treatments for diseases linked to metabolic dysfunction.

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