Focused On-demand Library for Homeodomain-interacting protein kinase 2

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.


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 utilise our cutting-edge, exclusive workflow to develop focused 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
Q9H2X6

UPID:
HIPK2_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q9H2X6; Q75MR7; Q8WWI4; Q9H2Y1

BACKGROUND:
The Homeodomain-interacting protein kinase 2 (HIPK2) orchestrates a broad spectrum of cellular mechanisms, including transcription regulation, p53-mediated apoptosis, and cell cycle governance. It acts as a corepressor and phosphorylates numerous key proteins such as p53/TP53, enhancing its transcriptional and protein-level activities. HIPK2's involvement in DNA damage response, angiogenesis, and erythropoiesis underscores its critical role in maintaining cellular integrity and response to environmental stresses.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Homeodomain-interacting protein kinase 2 offers a promising avenue for the development of novel therapeutic interventions.

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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