Focused On-demand Library for Peroxisome proliferator-activated receptor alpha

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.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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
Q07869

UPID:
PPARA_HUMAN

ALTERNATIVE NAMES:
Nuclear receptor subfamily 1 group C member 1

ALTERNATIVE UPACC:
Q07869; B0G0X3; Q16241; Q6I9S0; Q92486; Q92689; Q9Y3N1

BACKGROUND:
The Peroxisome proliferator-activated receptor alpha, identified as a key regulator of lipid metabolism, is activated by natural ligands and fatty acids. It orchestrates the beta-oxidation pathway of fatty acids in peroxisomes and acts as a transcription activator for essential metabolic genes. Its activity is modulated through interaction with RXRA and antagonized by NR2C2, highlighting its complex regulatory mechanisms.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Peroxisome proliferator-activated receptor alpha offers promising avenues for developing novel therapeutic approaches.

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