Focused On-demand Library for Tubulin alpha-3D chain

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.

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P0DPH8

UPID:

TBA3D_HUMAN

Alternative names:

Alpha-tubulin 3D

Alternative UPACC:

P0DPH8; A6NJQ0; Q13748; Q5W099; Q6PEY3; Q96F18

Background:

Tubulin alpha-3D chain, also known as Alpha-tubulin 3D, plays a pivotal role in cell structure and function as the major constituent of microtubules. These microtubules are essential for a variety of cellular processes, including cell division, intracellular transport, and the maintenance of cell shape.

Therapeutic significance:

Keratoconus 9, a degenerative corneal disease leading to reduced vision, is directly linked to variants affecting the Tubulin alpha-3D chain gene. This connection underscores the protein's potential as a target for therapeutic intervention, aiming to halt or reverse the progression of this condition.