Focused On-demand Library for Sentrin-specific protease 3

Details

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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q9H4L4

UPID:
SENP3_HUMAN

ALTERNATIVE NAMES:
SUMO-1-specific protease 3; Sentrin/SUMO-specific protease SENP3

ALTERNATIVE UPACC:
Q9H4L4; Q66K15; Q86VS7; Q96PS4; Q9Y3W9

BACKGROUND:
The protein Sentrin-specific protease 3, with alternative names SUMO-1-specific protease 3 and SENP3, is pivotal in the post-translational modification landscape. It targets SUMO2 and SUMO3 for deconjugation from substrates, thereby influencing various cellular processes. SENP3's activity against SUMO1 conjugates is comparatively weak. Its involvement in the desumoylation of EP300 underlines its role as a redox sensor, crucial for enhancing HIF1A transcriptional activity. Additionally, SENP3 is vital for the processing of rRNA and the regulation of ZNF148 sumoylation, indicating its significant role in cellular transcriptional regulation and genome stability.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Sentrin-specific protease 3 could open doors to potential therapeutic strategies.

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