Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 high-tech, dedicated method is applied to construct targeted libraries for receptors.
Fig. 1. The sreening workflow of Receptor.AI
It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential mechanisms of action.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P10276
UPID:
RARA_HUMAN
Alternative names:
Nuclear receptor subfamily 1 group B member 1
Alternative UPACC:
P10276; B8Y636; P78456; Q13440; Q13441; Q96S41; Q9NQS0
Background:
Retinoic acid receptor alpha, also known as Nuclear receptor subfamily 1 group B member 1, is a pivotal receptor for retinoic acid. It functions by binding as heterodimers to target response elements upon ligand binding, regulating gene expression across various biological processes. This receptor plays a crucial role in germ cell development during spermatogenesis, skeletal growth, and vascular endothelial cell function by regulating microRNA-10a expression.
Therapeutic significance:
Understanding the role of Retinoic acid receptor alpha could open doors to potential therapeutic strategies.