Focused On-demand Library for Tyrosine-protein kinase ZAP-70

Focused On-demand Libraries - Receptor.AI Collaboration


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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
P43403

UPID:
ZAP70_HUMAN

ALTERNATIVE NAMES:
70 kDa zeta-chain associated protein; Syk-related tyrosine kinase

ALTERNATIVE UPACC:
P43403; A6NFP4; Q6PIA4; Q8IXD6; Q9UBS6

BACKGROUND:
The 70 kDa zeta-chain associated protein, or ZAP-70, is a tyrosine kinase integral to the adaptive immune system. It facilitates the maturation of T-cells and B-lymphocytes, ensuring effective immune defense. ZAP-70's activation and regulatory mechanisms are critical for lymphocyte proliferation, differentiation, and the immune response to pathogens.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of ZAP-70 could open doors to potential therapeutic strategies. Its involvement in severe immunodeficiency and autoimmune disorders underscores the importance of ZAP-70 as a target in drug discovery, aiming to modulate immune responses and treat related diseases.

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.


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