Focused On-demand Library for Ribosomal protein S6 kinase beta-1

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.

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.

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

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

P23443

UPID:

KS6B1_HUMAN

Alternative names:

70 kDa ribosomal protein S6 kinase 1; Ribosomal protein S6 kinase I; Serine/threonine-protein kinase 14A; p70 ribosomal S6 kinase alpha

Alternative UPACC:

P23443; B2R779; B4DLT4; B4DTG1; E7ESB8; F6UYM1; Q7Z721

Background:

Ribosomal protein S6 kinase beta-1, also known as 70 kDa ribosomal protein S6 kinase 1, plays a crucial role in cell proliferation, growth, and cycle progression. It acts downstream of mTOR signaling, responding to growth factors and nutrients by regulating protein synthesis and cell survival. This kinase phosphorylates several key proteins involved in the translation initiation and elongation processes, contributing to the dynamic control of protein synthesis.

Therapeutic significance:

Understanding the role of Ribosomal protein S6 kinase beta-1 could open doors to potential therapeutic strategies.