Focused On-demand Library for Acid-sensing ion channel 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q16515

UPID:

ASIC2_HUMAN

Alternative names:

Amiloride-sensitive brain sodium channel; Amiloride-sensitive cation channel 1, neuronal; Amiloride-sensitive cation channel neuronal 1; Brain sodium channel 1; Mammalian degenerin homolog

Alternative UPACC:

Q16515; E9PBX2; Q13553; Q6DJU1; Q8N3E2

Background:

Acid-sensing ion channel 2 (ASIC2), also known by names such as Amiloride-sensitive brain sodium channel and Brain sodium channel 1, plays a crucial role in the nervous system. It functions as a cation channel with high affinity for sodium, gated by extracellular protons and inhibited by amiloride. This channel is also permeable to Li(+) and K(+), generating a biphasic current essential for neuronal activity.

Therapeutic significance:

Understanding the role of Acid-sensing ion channel 2 could open doors to potential therapeutic strategies. Its involvement in modulating neuronal activity through heteromeric channel assembly offers a promising avenue for exploring treatments for neurological disorders.