Focused On-demand Library for Casein kinase II subunit alpha

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening 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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P68400

UPID:

CSK21_HUMAN

Alternative names:

Alternative UPACC:

P68400; B4DYS6; D3DVV8; P19138; P20426; Q14013; Q5U065

Background:

Casein kinase II subunit alpha is a pivotal component of a serine/threonine-protein kinase complex, involved in phosphorylating substrates with acidic residues. It plays a crucial role in various cellular processes including cell cycle progression, apoptosis, transcription, and response to viral infection. Its activity affects numerous signaling pathways and transcription factors, highlighting its importance in cellular regulation and response mechanisms.

Therapeutic significance:

The protein's involvement in Okur-Chung neurodevelopmental syndrome, due to gene variants, underscores its potential as a target for therapeutic intervention. Understanding the role of Casein kinase II subunit alpha could open doors to potential therapeutic strategies, offering hope for treating this and possibly other related disorders.