Focused On-demand Library for Tyrosine-protein kinase ITK/TSK

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Receptor.AI
 
UPACC
Q08881

UPID:
ITK_HUMAN

ALTERNATIVE NAMES:
Interleukin-2-inducible T-cell kinase; Kinase EMT; T-cell-specific kinase; Tyrosine-protein kinase Lyk

ALTERNATIVE UPACC:
Q08881; B2R752; Q32ML7

BACKGROUND:
The Tyrosine-protein kinase ITK/TSK, known for its roles as Kinase EMT and T-cell-specific kinase, is integral to regulating the adaptive immune system. It facilitates the phosphorylation of key proteins leading to T-cell activation and differentiation. Its function is critical in the signaling pathways that govern the immune response, particularly in the context of T-cell receptor (TCR) activation.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Tyrosine-protein kinase ITK/TSK could open doors to potential therapeutic strategies. Given its crucial role in immune response regulation and its direct link to Lymphoproliferative syndrome 1, targeting ITK offers a promising pathway for developing treatments for immunodeficiency disorders and enhancing our ability to combat viral infections.

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 141 of 8789