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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P13637
UPID:
AT1A3_HUMAN
Alternative names:
Na(+)/K(+) ATPase alpha(III) subunit; Sodium pump subunit alpha-3
Alternative UPACC:
P13637; B7Z2T0; B7Z401; F5H6J6; Q16732; Q16735; Q969K5
Background:
Sodium/potassium-transporting ATPase subunit alpha-3, also known as Na(+)/K(+) ATPase alpha(III) subunit or Sodium pump subunit alpha-3, plays a pivotal role in maintaining the electrochemical gradient of sodium and potassium ions across the plasma membrane. This gradient is essential for various cellular processes, including nutrient transport.
Therapeutic significance:
The protein is implicated in several neurological disorders, such as Dystonia 12, Alternating hemiplegia of childhood 2, Cerebellar ataxia, areflexia, pes cavus, optic atrophy, and sensorineural hearing loss, and Developmental and epileptic encephalopathy 99. These associations highlight its potential as a target for therapeutic intervention in these conditions.