Focused On-demand Library for Death-associated 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
Q9UIK4

UPID:
DAPK2_HUMAN

ALTERNATIVE NAMES:
DAP-kinase-related protein 1

ALTERNATIVE UPACC:
Q9UIK4; E9JGM7; O75892; Q24JS1

BACKGROUND:
The multifunctional enzyme Death-associated protein kinase 2, also known as DAP-kinase-related protein 1, orchestrates several critical cellular processes. It regulates apoptosis, autophagy, cell survival, and granulocytic functions through calcium/calmodulin-dependent serine/threonine kinase activity. Its unique ability to toggle between apoptotic and autophagic cell death signals, based on cellular context, and its role in suppressing anchorage-independent growth of cancer cells highlight its biological significance.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Death-associated protein kinase 2 unveils potential avenues for therapeutic intervention.

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