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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 employ our advanced, specialised process to create targeted 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.

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

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.