Focused On-demand Library for Hydroxylysine kinase

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
A2RU49

UPID:
HYKK_HUMAN

ALTERNATIVE NAMES:
Aminoglycoside phosphotransferase domain-containing protein 1

ALTERNATIVE UPACC:
A2RU49; B7ZMA5; F8W6X5; Q6ZTN0

BACKGROUND:
The enzyme Hydroxylysine kinase, alternatively named Aminoglycoside phosphotransferase domain-containing protein 1, is integral to the phosphorylation process of 5-hydroxy-L-lysine, a reaction essential for the regulation of protein functions within the cell. This process is critical for maintaining the proper structure and function of proteins, impacting cellular health and homeostasis.

THERAPEUTIC SIGNIFICANCE:
Exploring the enzymatic mechanisms of Hydroxylysine kinase presents a promising pathway for the development of novel therapeutic interventions. As this protein is involved in key regulatory processes within the cell, targeting its activity could lead to breakthrough treatments for conditions associated with protein misfolding or instability.

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.