Focused On-demand Library for Suppressor of cytokine signaling 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

O15524

UPID:

SOCS1_HUMAN

Alternative names:

JAK-binding protein; STAT-induced STAT inhibitor 1; Tec-interacting protein 3

Alternative UPACC:

O15524; O15097; Q9NSA7

Background:

Suppressor of cytokine signaling 1 (SOCS1), also known as JAK-binding protein or STAT-induced STAT inhibitor 1, plays a pivotal role in immune regulation. It acts as an essential negative regulator of type I and II interferon signaling, alongside other cytokines such as IL2, IL4, IL6, and leukemia inhibitory factor. SOCS1 achieves this by inhibiting the JAK/STAT signaling pathway, crucial for immune response modulation.

Therapeutic significance:

SOCS1's involvement in Autoinflammatory syndrome, familial, with or without immunodeficiency, underscores its therapeutic potential. This disease, characterized by autoimmune cytopenia, hemolytic anemia, and other autoimmune disorders, highlights the critical role of SOCS1 in immune regulation. Targeting SOCS1 could offer novel therapeutic strategies for managing this autoinflammatory disorder and possibly other related autoimmune diseases.