Focused On-demand Library for EKC/KEOPS complex subunit TPRKB

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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 employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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

Q9Y3C4

UPID:

TPRKB_HUMAN

Alternative names:

PRPK-binding protein; TP53RK-binding protein

Alternative UPACC:

Q9Y3C4; D6W5H6; Q8IWR6; Q8IWR7; Q9H3K4

Background:

The EKC/KEOPS complex subunit TPRKB, also known as PRPK-binding protein or TP53RK-binding protein, plays a crucial role in cellular processes. It is a key component of the EKC/KEOPS complex, essential for the formation of a threonylcarbamoyl group on adenosine at position 37 in tRNAs that read codons beginning with adenine. This modification is vital for the proper decoding of mRNA and the synthesis of proteins.

Therapeutic significance:

TPRKB's involvement in Galloway-Mowat syndrome 5, a severe renal-neurological disease, highlights its potential as a therapeutic target. Understanding the role of TPRKB could open doors to potential therapeutic strategies for this debilitating condition, offering hope for affected patients.