Focused On-demand Library for Serine/threonine-protein kinase RIO3

Focused On-demand Libraries - Reaxense 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. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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 distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

O14730

UPID:

RIOK3_HUMAN

Alternative names:

RIO kinase 3; sudD homolog

Alternative UPACC:

O14730; Q8IXN9

Background:

Serine/threonine-protein kinase RIO3, also known as RIO kinase 3 and sudD homolog, plays a pivotal role in the regulation of the type I interferon-dependent immune response, crucial for combating DNA and RNA viruses. It acts as an adapter protein for TBK1 and IRF3 recruitment, modulates IFIH1 signaling through phosphorylation, inhibits CASP10 in NF-kappaB signaling, and contributes to the biogenesis of the 40S ribosomal subunit by processing 21S pre-rRNA to 18S rRNA.

Therapeutic significance:

Understanding the role of Serine/threonine-protein kinase RIO3 could open doors to potential therapeutic strategies.