AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Tubulin alpha-4A chain

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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 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.

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

P68366

UPID:

TBA4A_HUMAN

Alternative names:

Alpha-tubulin 1; Testis-specific alpha-tubulin; Tubulin H2-alpha; Tubulin alpha-1 chain

Alternative UPACC:

P68366; A8MUB1; B3KNQ6; P05215

Background:

Tubulin alpha-4A chain, known by alternative names such as Alpha-tubulin 1 and Tubulin H2-alpha, plays a pivotal role in cell structure and movement. It is the major constituent of microtubules, essential for cell division, intracellular transport, and the maintenance of cell shape. The dynamic assembly of tubulin into microtubules involves GTP-tubulin dimers adding to the microtubule end, a process critical for cellular function.

Therapeutic significance:

The Tubulin alpha-4A chain's involvement in Amyotrophic lateral sclerosis 22, a neurodegenerative disorder, underscores its therapeutic significance. Understanding the role of Tubulin alpha-4A chain could open doors to potential therapeutic strategies for treating this devastating condition, highlighting the importance of research in this area.

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