Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P37088
UPID:
SCNNA_HUMAN
Alternative names:
Alpha-NaCH; Epithelial Na(+) channel subunit alpha; Nonvoltage-gated sodium channel 1 subunit alpha; SCNEA
Alternative UPACC:
P37088; A5X2U9; B4E2Q5; C5HTZ0; O43271; Q6GSQ6; Q9UM64
Background:
The Amiloride-sensitive sodium channel subunit alpha, also known as Alpha-NaCH, SCNEA, and Nonvoltage-gated sodium channel 1 subunit alpha, plays a pivotal role in the regulation of sodium permeability across epithelial cells. This protein facilitates the electrodiffusion of sodium, crucial for maintaining electrolyte balance, blood pressure, airway surface liquid homeostasis, and taste perception. Its expression in kidney, colon, lung, and eccrine sweat glands underscores its integral function in sodium reabsorption and fluid balance.
Therapeutic significance:
Mutations in the Amiloride-sensitive sodium channel subunit alpha are linked to several diseases, including Pseudohypoaldosteronism 1B1, autosomal recessive, characterized by salt wasting and severe electrolyte imbalance. Additionally, it is associated with Bronchiectasis with or without elevated sweat chloride 2, and Liddle syndrome 3, highlighting its role in respiratory and blood pressure disorders. Understanding the molecular mechanisms of this channel could lead to targeted therapies for these conditions.