Focused On-demand Library for Dual specificity tyrosine-phosphorylation-regulated kinase 1A

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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 utilise our cutting-edge, exclusive workflow to develop 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 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
Q13627

UPID:
DYR1A_HUMAN

ALTERNATIVE NAMES:
Dual specificity YAK1-related kinase; HP86; Protein kinase minibrain homolog

ALTERNATIVE UPACC:
Q13627; O60769; Q92582; Q92810; Q9UNM5

BACKGROUND:
The enzyme Dual specificity tyrosine-phosphorylation-regulated kinase 1A exhibits a unique ability to phosphorylate substrates on serine/threonine and tyrosine residues. It is crucial for DNA repair, transcriptional regulation, and cell survival, highlighting its importance in cellular homeostasis and response to genotoxic stress.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in Intellectual developmental disorder, autosomal dominant 7, targeting Dual specificity tyrosine-phosphorylation-regulated kinase 1A offers a promising avenue for developing novel treatments. Its multifaceted role in biological systems makes it an intriguing subject for scientific inquiry and drug discovery.

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