Focused On-demand Library for EKC/KEOPS complex subunit TP53RK

Focused On-demand Libraries - Reaxense 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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Q96S44

UPID:

PRPK_HUMAN

Alternative names:

Atypical serine/threonine protein kinase TP53RK; Nori-2; TP53-regulating kinase; p53-related protein kinase

Alternative UPACC:

Q96S44; B3KU44; Q3T977; Q5JZ01; Q6NZ60; Q96FM7; Q9NQE6

Background:

EKC/KEOPS complex subunit TP53RK, also known as Atypical serine/threonine protein kinase TP53RK, plays a crucial role in cellular processes. It is involved in the modification of tRNA, specifically in the formation of a threonylcarbamoyl group on adenosine at position 37, essential for the accurate translation of genetic information. Additionally, TP53RK phosphorylates 'Ser-15' of p53/TP53, a key step in the activation of this tumor suppressor protein.

Therapeutic significance:

Given its involvement in Galloway-Mowat syndrome 4, a severe renal-neurological disorder, understanding the role of EKC/KEOPS complex subunit TP53RK could open doors to potential therapeutic strategies. Its function in tRNA modification and p53/TP53 activation highlights its potential as a target in treating related diseases.