Focused On-demand Library for Signal transducer and activator of transcription 3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P40763

UPID:

STAT3_HUMAN

Alternative names:

Acute-phase response factor

Alternative UPACC:

P40763; A8K7B8; K7ENL3; O14916; Q9BW54

Background:

Signal transducer and activator of transcription 3 (STAT3), also known as Acute-phase response factor, plays a pivotal role in mediating cellular responses to a wide array of growth factors and cytokines. It is a key player in signal transduction pathways, activating transcription in response to interleukins, growth factors, and other stimuli. STAT3's involvement extends to cell cycle regulation, inflammatory response modulation, and apoptosis, highlighting its multifaceted role in cellular processes.

Therapeutic significance:

STAT3 is implicated in several diseases, including Hyper-IgE recurrent infection syndrome 1, autosomal dominant, and multisystem infantile-onset autoimmune disease. These associations underscore the protein's potential as a therapeutic target. Understanding STAT3's mechanisms could lead to innovative treatments for these and possibly other related disorders, emphasizing the importance of research in this area.