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.
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
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P10826
UPID:
RARB_HUMAN
Alternative names:
HBV-activated protein; Nuclear receptor subfamily 1 group B member 2; RAR-epsilon
Alternative UPACC:
P10826; P12891; Q00989; Q15298; Q9UN48
Background:
Retinoic acid receptor beta, also known as RAR-beta, plays a pivotal role in the retinoic acid signaling pathway. It functions as a receptor for retinoic acid, binding as heterodimers to target response elements to regulate gene expression in various biological processes. This protein is involved in critical functions such as skeletal growth, matrix homeostasis, and growth plate function.
Therapeutic significance:
RAR-beta is linked to Microphthalmia, syndromic, 12, a disorder affecting eye formation and associated with other abnormalities like diaphragmatic hernia and cardiac issues. Understanding the role of RAR-beta could open doors to potential therapeutic strategies for this condition.