Focused On-demand Library for E3 SUMO-protein ligase PIAS1

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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.







Alternative names:

DEAD/H box-binding protein 1; E3 SUMO-protein transferase PIAS1; Gu-binding protein; Protein inhibitor of activated STAT protein 1; RNA helicase II-binding protein

Alternative UPACC:

O75925; B2RB67; B3KSY9; C5J4B4; Q147X4; Q99751; Q9UN02


E3 SUMO-protein ligase PIAS1, known for its roles as an E3-type small ubiquitin-like modifier (SUMO) ligase, is pivotal in cellular pathways including the STAT, p53, and steroid hormone signaling pathways. It functions by stabilizing the interaction between UBE2I and substrates, and acts as a SUMO-tethering factor. PIAS1 is involved in transcriptional coregulation, affecting transactivation or silencing depending on the context. It sumoylates and promotes degradation of proteins like PML, enhancing cellular processes such as adipogenesis.

Therapeutic significance:

Understanding the role of E3 SUMO-protein ligase PIAS1 could open doors to potential therapeutic strategies.

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