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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q5TCY1
UPID:
TTBK1_HUMAN
Alternative names:
Brain-derived tau kinase
Alternative UPACC:
Q5TCY1; A2A2U5; Q2L6C6; Q6ZNH0; Q8N444; Q96JH2
Background:
Tau-tubulin kinase 1, also known as Brain-derived tau kinase, plays a pivotal role in phosphorylating TAU on serine, threonine, and tyrosine residues. This activity is crucial for the aggregation of TAU, a process intimately linked with neuronal function and health.
Therapeutic significance:
Understanding the role of Tau-tubulin kinase 1 could open doors to potential therapeutic strategies. Its ability to induce TAU aggregation positions it as a key target for intervention in neurodegenerative diseases.