Focused On-demand Library for GMP reductase 1

Details

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.


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.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
P36959

UPID:
GMPR1_HUMAN

ALTERNATIVE NAMES:
Guanosine 5'-monophosphate oxidoreductase 1

ALTERNATIVE UPACC:
P36959; Q96HQ6

BACKGROUND:
The enzyme GMP reductase 1, with its alternative name Guanosine 5'-monophosphate oxidoreductase 1, is integral to the cellular machinery for nucleotide balance. It facilitates the irreversible conversion of GMP to IMP using NADPH, a process vital for the synthesis of adenine nucleotides from guanine bases and for maintaining the equilibrium of intracellular adenine and guanine nucleotides.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of GMP reductase 1 holds promise for uncovering new therapeutic avenues. Given its central role in nucleotide synthesis and homeostasis, targeting this enzyme could lead to innovative treatments for diseases stemming from nucleotide imbalances.

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