Focused On-demand Library for E3 ubiquitin-protein ligase SIAH2

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.


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


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


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


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Receptor.AI
 
UPACC
O43255

UPID:
SIAH2_HUMAN

ALTERNATIVE NAMES:
RING-type E3 ubiquitin transferase SIAH2; Seven in absentia homolog 2

ALTERNATIVE UPACC:
O43255; O43270

BACKGROUND:
The protein E3 ubiquitin-protein ligase SIAH2, with alternative names RING-type E3 ubiquitin transferase SIAH2 and Seven in absentia homolog 2, mediates the ubiquitination and subsequent degradation of various target proteins. This process is essential for numerous cellular functions including transcription regulation, cell cycle control, and the response to hypoxia. SIAH2's ability to ubiquitinate and degrade proteins is a key mechanism in cellular regulation and homeostasis.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of E3 ubiquitin-protein ligase SIAH2 unveils potential therapeutic opportunities. Given its significant role in processes like tumor suppression and apoptosis, targeting SIAH2 could lead to innovative treatments for cancer. Furthermore, its involvement in the regulation of circadian rhythms presents potential therapeutic interventions for disorders related to sleep and metabolism.

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