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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O60939
UPID:
SCN2B_HUMAN
Alternative names:
-
Alternative UPACC:
O60939; O75302; Q9UNN3
Background:
Sodium channel subunit beta-2 plays a pivotal role in the assembly, expression, and functional modulation of the heterotrimeric sodium channel complex. It enhances the plasma membrane surface area and contributes to its folding into microvilli. Its interaction with TNR is vital for clustering and activity regulation of sodium channels at nodes of Ranvier.
Therapeutic significance:
The protein is implicated in Atrial fibrillation, familial, 14, a condition marked by disorganized atrial electrical activity. Understanding the role of Sodium channel subunit beta-2 could open doors to potential therapeutic strategies for this and related cardiac rhythm disturbances.