Focused On-demand Library for Suppressor of cytokine signaling 1

Details

Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening 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 distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
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:
The protein Suppressor of cytokine signaling 1, with aliases such as Tec-interacting protein 3, is a key regulator of cytokine signaling, impacting the JAK/STAT pathway and cytokine-mediated immune responses. It binds to JAK proteins and IFNGR1, inhibiting their activity, and is involved in the ubiquitination and proteasomal degradation of target proteins, indicating its broad regulatory role in immune function.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Suppressor of cytokine signaling 1 could open doors to potential therapeutic strategies. Given its regulatory function in cytokine signaling and its association with Autoinflammatory syndrome, familial, with or without immunodeficiency, SOCS1 represents a promising target for developing treatments for this and potentially other immune-related disorders.

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