Focused On-demand Library for Casein kinase II subunit alpha 3

Details

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.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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 comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Q8NEV1

UPID:
CSK23_HUMAN

ALTERNATIVE NAMES:
Casein kinase II alpha 1 polypeptide pseudogene

ALTERNATIVE UPACC:
Q8NEV1

BACKGROUND:
The protein Casein kinase II subunit alpha 3, alternatively named Casein kinase II alpha 1 polypeptide pseudogene, acts as the probable catalytic core of a serine/threonine-protein kinase complex that is constitutively active. This complex plays a crucial role in phosphorylating substrates containing acidic residues C-terminal to the phosphorylated serine or threonine. As an oncogene that is dependent on amplification, it facilitates cell growth and the development of tumors by down-regulating the tumor suppressor protein, PML.

THERAPEUTIC SIGNIFICANCE:
The exploration of Casein kinase II subunit alpha 3's function offers promising avenues for therapeutic intervention, especially in lung cancer. Its involvement in cell proliferation and tumor development positions it as a valuable target for the creation of novel cancer treatment modalities.

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