AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Reaxense

upacc

P37231

UPID:

PPARG_HUMAN

Alternative names:

Nuclear receptor subfamily 1 group C member 3

Alternative UPACC:

P37231; A8K3G6; B5BUA1; O00684; O00710; O14515; Q0QJH8; Q15178; Q15179; Q15180; Q15832; Q86U60; Q96J12

Background:

Peroxisome proliferator-activated receptor gamma (PPARγ) is a nuclear receptor that plays a pivotal role in the regulation of fatty acid storage and glucose metabolism. PPARγ is a key regulator of adipocyte differentiation and is instrumental in the control of the peroxisomal beta-oxidation pathway of fatty acids. It also has a significant role in suppressing NF-kappa-B-mediated pro-inflammatory responses, thereby maintaining gut homeostasis.

Therapeutic significance:

PPARγ's involvement in diseases such as obesity, familial partial lipodystrophy, and glioma highlights its potential as a therapeutic target. Its role in regulating glucose homeostasis and adipocyte differentiation makes it a promising candidate for the development of treatments for metabolic disorders. Additionally, its association with glioma susceptibility suggests a possible avenue for cancer therapy.

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