Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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

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.


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
Q9H649

UPID:
NSUN3_HUMAN

ALTERNATIVE NAMES:
NOL1/NOP2/Sun domain family member 3

ALTERNATIVE UPACC:
Q9H649; Q6PG41; Q8IXG9; Q9H6M2

BACKGROUND:
NOL1/NOP2/Sun domain family member 3, a mitochondrial tRNA methyltransferase, is instrumental in the methylation process of mt-tRNA(Met), specifically at cytosine(34). This methylation is a critical step for mitochondrial translation, enabling the mt-tRNA(Met) to recognize both AUA and AUG codons. Such a mechanism is vital for the proper synthesis of mitochondrial proteins, crucial for cellular energy production and metabolic processes.

THERAPEUTIC SIGNIFICANCE:
The enzyme's essential role in mitochondrial protein synthesis positions it as a key target for research into mitochondrial diseases, such as Combined oxidative phosphorylation deficiency 48. Exploring the enzyme's function further could lead to groundbreaking therapeutic interventions for this and related mitochondrial encephalomyopathies.

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