Focused On-demand Library for Ataxin-1

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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

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.