AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Tubulin alpha-1A chain

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

Reaxense

upacc

Q71U36

UPID:

TBA1A_HUMAN

Alternative names:

Alpha-tubulin 3; Tubulin B-alpha-1; Tubulin alpha-3 chain

Alternative UPACC:

Q71U36; A8K0B8; G3V1U9; P04687; P05209

Background:

Tubulin alpha-1A chain, also known as Alpha-tubulin 3, Tubulin B-alpha-1, and Tubulin alpha-3 chain, plays a pivotal role in cell structure and function. It is a major constituent of microtubules, essential for cell division, intracellular transport, and the maintenance of cell shape. The dynamic assembly of tubulin into microtubules, facilitated by the addition of GTP-tubulin dimers, is critical for cellular processes.

Therapeutic significance:

Lissencephaly 3, a neurological disorder characterized by brain malformations, intellectual disability, and seizures, is linked to mutations in the gene encoding Tubulin alpha-1A chain. Understanding the role of Tubulin alpha-1A chain could open doors to potential therapeutic strategies for treating or managing conditions like Lissencephaly 3.

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