AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Tubulin beta-3 chain

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q13509

UPID:

TBB3_HUMAN

Alternative names:

Tubulin beta-4 chain; Tubulin beta-III

Alternative UPACC:

Q13509; A8K854; Q9BTZ0; Q9BW10

Background:

Tubulin beta-3 chain, also known as Tubulin beta-III, is a pivotal component of microtubules, essential for their formation and stabilization. It plays a crucial role in axon guidance and maintenance, facilitating proper neuronal development and function. The interaction between TUBB3 and various signaling molecules, such as NTN1/Netrin-1, influences microtubule dynamics, crucial for neuronal pathfinding and cellular architecture.

Therapeutic significance:

The Tubulin beta-3 chain's involvement in congenital fibrosis of extraocular muscles type 3A and cortical dysplasia with brain malformations highlights its significance in ocular and neurological disorders. Understanding the role of Tubulin beta-3 chain could open doors to potential therapeutic strategies for these conditions, offering hope for targeted interventions that address the underlying molecular mechanisms.

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