Focused On-demand Library for Tau-tubulin kinase 1

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Q5TCY1

UPID:
TTBK1_HUMAN

ALTERNATIVE NAMES:
Brain-derived tau kinase

ALTERNATIVE UPACC:
Q5TCY1; A2A2U5; Q2L6C6; Q6ZNH0; Q8N444; Q96JH2

BACKGROUND:
The enzyme Tau-tubulin kinase 1, alternatively named Brain-derived tau kinase, is a serine/threonine kinase with the unique capability to phosphorylate TAU across multiple residues. This phosphorylation is a critical step in the aggregation process of TAU, affecting neuronal stability and function.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Tau-tubulin kinase 1 offers a promising pathway to developing novel therapeutic approaches. Given its central role in TAU aggregation, targeting this kinase could provide breakthroughs in treating neurological disorders.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


Page 7430 of 8789