Focused On-demand Library for E3 ubiquitin-protein ligase SIAH1

Focused On-demand Libraries - Receptor.AI 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.


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 Reaxense.


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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q8IUQ4

UPID:
SIAH1_HUMAN

ALTERNATIVE NAMES:
RING-type E3 ubiquitin transferase SIAH1; Seven in absentia homolog 1; Siah-1a

ALTERNATIVE UPACC:
Q8IUQ4; A0FKF3; O43269; Q49A58; Q92880

BACKGROUND:
The protein E3 ubiquitin-protein ligase SIAH1, known for its roles in ubiquitination and subsequent proteasomal degradation, is integral to maintaining cellular processes such as cell cycle regulation, apoptosis, and tumor suppression. By targeting proteins for degradation, SIAH1 ensures proper cellular function and response to stress signals.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in the pathogenesis of Buratti-Harel syndrome, a disorder marked by developmental delays and dysmorphic features, E3 ubiquitin-protein ligase SIAH1 represents a promising target for therapeutic intervention. Exploring SIAH1's function could lead to breakthroughs in treatment options for this and potentially other ubiquitin-mediated diseases.

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