AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Ataxin-1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 top-notch dedicated system is used to design specialised libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

P54253

UPID:

ATX1_HUMAN

Alternative names:

Spinocerebellar ataxia type 1 protein

Alternative UPACC:

P54253; Q17S02; Q9UJG2; Q9Y4J1

Background:

Ataxin-1, known as the Spinocerebellar ataxia type 1 protein, plays a pivotal role in chromatin-binding, acting as a corepressor in the Notch signaling pathway. It is involved in brain development, RNA metabolism, and represses Notch signaling by binding to the HEY promoter alongside NCOR2 and RBPJ. Its ability to bind RNA in vitro suggests a broader role in RNA metabolism.

Therapeutic significance:

Spinocerebellar ataxia 1, a disease linked to Ataxin-1, is characterized by progressive incoordination and cerebellum degeneration. The disease stems from a CAG repeat expansion in ATXN1, leading to earlier onset and severe manifestations with longer expansions. Understanding Ataxin-1's role could unveil new therapeutic strategies for this debilitating condition.

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