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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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
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.
Our library is unique due to several crucial aspects:
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.