Focused On-demand Library for Tubulin beta-3 chain

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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.

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.