AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted 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 is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.

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