Focused On-demand Library for 7-methylguanosine phosphate-specific 5'-nucleotidase

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 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

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 is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

PARTNER
Receptor.AI
 
UPACC
Q969T7

UPID:
5NT3B_HUMAN

ALTERNATIVE NAMES:
Cytosolic 5'-nucleotidase 3B; Cytosolic 5'-nucleotidase III-like protein; N(7)-methylguanylate 5'-phosphatase

ALTERNATIVE UPACC:
Q969T7; A8MWB9; C9JKC4; Q7L3B7

BACKGROUND:
7-methylguanosine phosphate-specific 5'-nucleotidase, also referred to as Cytosolic 5'-nucleotidase 3B or N(7)-methylguanylate 5'-phosphatase, is pivotal in nucleotide metabolism. It efficiently breaks down m(7)GMP into 7-methylguanosine and inorganic phosphate, preventing the inappropriate use of m(7)GMP in nucleic acid synthesis. Its activity extends to CMP, albeit weakly, while showing minimal effectiveness on UMP and purine nucleotides.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of 7-methylguanosine phosphate-specific 5'-nucleotidase unveils potential avenues for therapeutic intervention, highlighting its significance in developing treatments targeting cellular metabolic processes.

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