Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
We employ our advanced, specialised process to create targeted 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P50993
UPID:
AT1A2_HUMAN
Alternative names:
Sodium pump subunit alpha-2
Alternative UPACC:
P50993; D3DVE4; Q07059; Q5JW74; Q86UZ5; Q9UQ25
Background:
The Sodium/potassium-transporting ATPase subunit alpha-2, also known as Sodium pump subunit alpha-2, plays a pivotal role in maintaining the electrochemical gradient of sodium and potassium across the plasma membrane. This process is fundamental for various cellular functions, including nutrient transport.
Therapeutic significance:
Given its crucial role in cellular processes, the Sodium/potassium-transporting ATPase subunit alpha-2 is linked to several diseases, such as Migraine, familial hemiplegic, 2, Alternating hemiplegia of childhood 1, and Developmental and epileptic encephalopathy 98. Targeting this protein could lead to innovative treatments for these conditions.