AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Tubulin beta-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.

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.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

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

P04350

UPID:

TBB4A_HUMAN

Alternative names:

Tubulin 5 beta; Tubulin beta-4 chain

Alternative UPACC:

P04350; B3KQP4; Q969E5

Background:

Tubulin beta-4A chain, also known as Tubulin 5 beta and Tubulin beta-4 chain, plays a pivotal role in cell structure and function as the major constituent of microtubules. These microtubules are essential for various cellular processes, including cell division, intracellular transport, and maintenance of cell shape. The dynamic assembly of tubulin into microtubules involves the addition of GTP-tubulin dimers, facilitated by the GTPase activity of alpha-tubulin.

Therapeutic significance:

The Tubulin beta-4A chain is implicated in diseases such as Dystonia 4, torsion, autosomal dominant, and Leukodystrophy, hypomyelinating, 6, both of which involve neurological dysfunction. Understanding the role of Tubulin beta-4A chain could open doors to potential therapeutic strategies for these and other neurodegenerative diseases.

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