Focused On-demand Library for Serine/threonine-protein kinase RIO1

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We use our state-of-the-art dedicated workflow for designing focused 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9BRS2

UPID:

RIOK1_HUMAN

Alternative names:

RIO kinase 1

Alternative UPACC:

Q9BRS2; B2RB28; Q8NDC8; Q96NV9

Background:

Serine/threonine-protein kinase RIO1, also known as RIO kinase 1, plays a crucial role in the final steps of cytoplasmic maturation of the 40S ribosomal subunit. It is essential for processing 18S-E pre-rRNA to mature 18S rRNA and recycling of NOB1 and PNO1 from the late 40S precursor. Its kinase domain, while proposed to act predominantly as an ATPase, regulates its dynamic association with the 40S subunit. Additionally, RIO1 acts as an adapter protein, recruiting NCL/nucleolin to the PRMT5 complex for symmetrical methylation.

Therapeutic significance:

Understanding the role of Serine/threonine-protein kinase RIO1 could open doors to potential therapeutic strategies.