Focused On-demand Library for Tubulin alpha-1B 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.

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P68363

UPID:

TBA1B_HUMAN

Alternative names:

Alpha-tubulin ubiquitous; Tubulin K-alpha-1; Tubulin alpha-ubiquitous chain

Alternative UPACC:

P68363; P04687; P05209; Q27I68; Q8WU19

Background:

Tubulin alpha-1B chain, also known as Alpha-tubulin ubiquitous, Tubulin K-alpha-1, and Tubulin alpha-ubiquitous chain, plays a pivotal role in cell structure and function. It is the major constituent of microtubules, essential for cell division, intracellular transport, and the maintenance of cell shape. Microtubules, composed of alpha- and beta-tubulin heterodimers, dynamically grow by adding GTP-tubulin dimers, facilitated by the GTPase activity of alpha-tubulin.

Therapeutic significance:

Understanding the role of Tubulin alpha-1B chain could open doors to potential therapeutic strategies. Its critical function in cell division and transport makes it a potential target for cancer therapy, as disrupting microtubule dynamics can inhibit cancer cell proliferation.