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

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.

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 employ our advanced, specialised process to create targeted 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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

O43255

UPID:

SIAH2_HUMAN

Alternative names:

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

Alternative UPACC:

O43255; O43270

Background:

E3 ubiquitin-protein ligase SIAH2, also known as RING-type E3 ubiquitin transferase SIAH2 and Seven in absentia homolog 2, plays a pivotal role in protein ubiquitination and proteasomal degradation. It targets a wide array of proteins including those involved in transcription regulation, apoptosis, tumor suppression, and cellular signaling. SIAH2's activity is crucial for maintaining cellular homeostasis by regulating the abundance of key proteins.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase SIAH2 could open doors to potential therapeutic strategies. Its involvement in critical cellular processes such as apoptosis and tumor suppression highlights its potential as a target for cancer therapy. Additionally, its role in the degradation of proteins involved in circadian rhythms suggests avenues for treating sleep disorders and metabolic diseases.