Focused On-demand Library for Tubulin alpha-8 chain

Details

Focused On-demand Libraries - Receptor.AI 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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q9NY65

UPID:
TBA8_HUMAN

ALTERNATIVE NAMES:
Alpha-tubulin 8; Tubulin alpha chain-like 2

ALTERNATIVE UPACC:
Q9NY65; B2RCX2; B3KPW9; B4DWG3; Q2M3N4

BACKGROUND:
The Tubulin alpha-8 chain, identified by its alternative names Alpha-tubulin 8 and Tubulin alpha chain-like 2, is a critical component of microtubules. These structures are indispensable for cell viability, participating in crucial functions such as mitosis, motility, and signal transduction. The protein's ability to polymerize into microtubules, driven by GTP-tubulin dimers, underscores its significance in cellular dynamics and architecture.

THERAPEUTIC SIGNIFICANCE:
Given its association with Macrothrombocytopenia, isolated, 2, autosomal dominant, the Tubulin alpha-8 chain represents a promising avenue for drug discovery and development. Exploring the therapeutic potential of targeting this protein could lead to innovative treatments for this congenital blood disorder and enhance our understanding of microtubule-related diseases.

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