AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Sentrin-specific protease 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.

 Fig. 1. The sreening 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.

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

Q9HC62

UPID:

SENP2_HUMAN

Alternative names:

Axam2; SMT3-specific isopeptidase 2; Sentrin/SUMO-specific protease SENP2

Alternative UPACC:

Q9HC62; B4DQ42; Q8IW97; Q96SR2; Q9P2L5

Background:

Sentrin-specific protease 2 (SENP2), also known as Axam2 and SMT3-specific isopeptidase 2, plays a pivotal role in the SUMO pathway. It is responsible for the maturation of SUMO proteins by hydrolyzing their C-terminal end and for the deconjugation of SUMO from targeted proteins, affecting various cellular processes. SENP2 also influences the Wnt pathway by modulating CTNNB1 levels, desumoylates MTA1, and stabilizes CEBPB in adipogenesis. Additionally, it regulates the cGAS-STING pathway during viral infections.

Therapeutic significance:

Understanding the role of Sentrin-specific protease 2 could open doors to potential therapeutic strategies.

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