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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 employ our advanced, specialised process to create targeted libraries for receptors.


 

Fig. 1. The screening workflow of Receptor.AI

It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential mechanisms of action.


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
P51449

UPID:
RORG_HUMAN

ALTERNATIVE NAMES:
Nuclear receptor RZR-gamma; Nuclear receptor subfamily 1 group F member 3; RAR-related orphan receptor C; Retinoid-related orphan receptor-gamma

ALTERNATIVE UPACC:
P51449; Q5SZR9; Q8N5V7; Q8NCY8

BACKGROUND:
The Nuclear receptor ROR-gamma, with alternative names such as Nuclear receptor subfamily 1 group F member 3, is a key regulator of immunity, metabolism, and circadian rhythm. It influences the expression of genes critical for lipid and glucose metabolism, and is essential for the development of secondary lymphoid tissues and T(H)17 cell differentiation.

THERAPEUTIC SIGNIFICANCE:
Given ROR-gamma's critical role in Immunodeficiency 42, where patients exhibit heightened risk to infections, targeting this protein offers a promising avenue for developing treatments for primary immunodeficiencies and metabolic diseases. Understanding the role of ROR-gamma could open doors to potential therapeutic strategies.

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