Focused On-demand Library for Cytosolic purine 5'-nucleotidase

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
P49902

UPID:
5NTC_HUMAN

ALTERNATIVE NAMES:
Cytosolic 5'-nucleotidase II; Cytosolic IMP/GMP-specific 5'-nucleotidase; Cytosolic nucleoside phosphotransferase 5'N; High Km 5'-nucleotidase

ALTERNATIVE UPACC:
P49902; B7Z382; D3DR91; Q5JUV5

BACKGROUND:
The enzyme Cytosolic purine 5'-nucleotidase, known for its roles in dephosphorylating 6-hydroxypurine nucleoside 5'-monophosphates and phosphotransferase activity, is crucial for maintaining cellular purine nucleoside/nucleotide balance. It shows high activity for IMP and GMP, influencing purine metabolism significantly.

THERAPEUTIC SIGNIFICANCE:
Given its association with Spastic paraplegia 45, autosomal recessive, a condition marked by progressive weakness and spasticity, targeting Cytosolic purine 5'-nucleotidase presents a promising avenue for developing novel treatments aimed at modulating purine metabolism in neurodegenerative diseases.

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