Focused On-demand Libraries - Receptor.AI 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. Reaxense aids in their synthesis and provision.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


Our high-tech, dedicated method is applied to construct targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
P54253

UPID:
ATX1_HUMAN

ALTERNATIVE NAMES:
Spinocerebellar ataxia type 1 protein

ALTERNATIVE UPACC:
P54253; Q17S02; Q9UJG2; Q9Y4J1

BACKGROUND:
The protein Ataxin-1, alternatively named Spinocerebellar ataxia type 1 protein, is a chromatin-binding factor that negatively regulates Notch signaling. It has a significant role in brain development, RNA metabolism, and acts as a CBF1 corepressor. Ataxin-1's interaction with RNA in vitro highlights its potential involvement in RNA metabolic processes.

THERAPEUTIC SIGNIFICANCE:
Linked to Spinocerebellar ataxia 1, Ataxin-1's dysfunction is due to an expansion of a CAG repeat, causing neuron toxicity and cerebellum degeneration. This condition manifests as progressive incoordination and degeneration. Exploring Ataxin-1's function offers a promising avenue for developing targeted therapies for Spinocerebellar ataxia 1.

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