Focused On-demand Library for Nuclear receptor subfamily 4 group A member 3

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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 use our state-of-the-art dedicated workflow for designing focused 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 distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q92570

UPID:
NR4A3_HUMAN

ALTERNATIVE NAMES:
Mitogen-induced nuclear orphan receptor; Neuron-derived orphan receptor 1; Nuclear hormone receptor NOR-1

ALTERNATIVE UPACC:
Q92570; A2A3I7; Q12935; Q14979; Q16420; Q4VXA8; Q4VXA9; Q9UEK2; Q9UEK3

BACKGROUND:
The Mitogen-induced nuclear orphan receptor, NR4A3, is crucial for cell proliferation, differentiation, and survival across various tissues. It mediates its effects by activating or repressing target genes involved in critical pathways such as cell cycle progression and apoptosis. NR4A3's regulatory role in metabolism and inflammation further illustrates its importance in maintaining cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Given NR4A3's involvement in Ewing sarcoma, understanding its biological mechanisms offers a promising pathway for developing targeted cancer therapies. The protein's function in tumor pathogenesis, particularly through chromosomal translocations, provides a foundation for exploring NR4A3 as a potential biomarker or therapeutic target in oncology.

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