AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Transcription factor SOX-6

Available from Reaxense
Predicted by Alphafold

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.

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.

We employ our advanced, specialised process to create targeted 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.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P35712

UPID:

SOX6_HUMAN

Alternative names:

-

Alternative UPACC:

P35712; Q86VX7; Q9BXQ3; Q9BXQ4; Q9BXQ5; Q9H0I8

Background:

Transcription factor SOX-6 plays a pivotal role in neurogenesis, chondrocytes differentiation, and cartilage formation. It specifically binds the 5'-AACAAT-3' DNA motif in enhancers and super-enhancers, promoting the expression of genes crucial for chondrogenesis. SOX-6, in cooperation with SOX5 and SOX9, is essential for the transition of condensed prechondrocytes into early-stage chondrocytes and plays a significant role in maintaining a pool of proliferating chondroblasts, crucial for skeletal development.

Therapeutic significance:

SOX-6's involvement in Tolchin-Le Caignec syndrome, characterized by intellectual development impairment and behavioral problems, highlights its potential as a therapeutic target. Understanding the role of Transcription factor SOX-6 could open doors to potential therapeutic strategies for managing and treating this autosomal dominant disorder.

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