Focused On-demand Library for Tau-tubulin kinase 2

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.


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 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 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.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q6IQ55

UPID:
TTBK2_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q6IQ55; O94932; Q6ZN52; Q8IVV1

BACKGROUND:
The enzyme Tau-tubulin kinase 2 is crucial for initiating ciliogenesis by binding to the basal body's distal end, promoting CCP110 removal. This action triggers the assembly of the ciliary axoneme. Its ability to phosphorylate tau and MPHOSPH9 underscores its significance in cellular processes, including protein ubiquitination and proteasomal degradation.

THERAPEUTIC SIGNIFICANCE:
Tau-tubulin kinase 2's association with Spinocerebellar ataxia 11 highlights its therapeutic potential. By elucidating its mechanisms, researchers can explore targeted therapies for this late-onset, slowly progressive neurologic disorder, offering hope for advancements in treatment strategies.

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