Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 our associate Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct targeted 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.
Key features that set our library apart include:
partner
Reaxense
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:
Peroxisome proliferator-activated receptor alpha (PPARα) is a crucial ligand-activated transcription factor involved in lipid metabolism. It is activated by specific endogenous ligands and hypolipidemic drugs, playing a pivotal role in regulating fatty acid oxidation in peroxisomes. PPARα functions as a transcription activator for genes like ACOX1 and P450, requiring heterodimerization with RXRA and is influenced by NR2C2.
Therapeutic significance:
Understanding the role of Peroxisome proliferator-activated receptor alpha could open doors to potential therapeutic strategies.