Focused On-demand Library for Ribosomal protein S6 kinase alpha-3

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.

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

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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P51812

UPID:

KS6A3_HUMAN

Alternative names:

90 kDa ribosomal protein S6 kinase 3; Insulin-stimulated protein kinase 1; MAP kinase-activated protein kinase 1b; Ribosomal S6 kinase 2; pp90RSK2

Alternative UPACC:

P51812; B2R9V4; Q4VAP3; Q59H26; Q5JPK8; Q7Z3Z7

Background:

Ribosomal protein S6 kinase alpha-3, also known as 90 kDa ribosomal protein S6 kinase 3, plays a pivotal role in cellular processes such as proliferation, survival, and differentiation. It acts downstream of ERK signaling, mediating activation of transcription factors and regulating translation through phosphorylation. This protein is essential for EGF-stimulated phosphorylation, contributing to the transcriptional activation of immediate-early genes.

Therapeutic significance:

Linked to Coffin-Lowry syndrome and Intellectual developmental disorder, X-linked 19, Ribosomal protein S6 kinase alpha-3's involvement in these diseases highlights its potential as a therapeutic target. Understanding its role could open doors to novel therapeutic strategies for these genetic disorders.