Focused On-demand Library for E3 SUMO-protein ligase PIAS2

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.


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 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.


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
O75928

UPID:
PIAS2_HUMAN

ALTERNATIVE NAMES:
Androgen receptor-interacting protein 3; DAB2-interacting protein; E3 SUMO-protein transferase PIAS2; Msx-interacting zinc finger protein; PIAS-NY protein; Protein inhibitor of activated STAT x; Protein inhibitor of activated STAT2

ALTERNATIVE UPACC:
O75928; O75927; Q96BT5; Q96KE3

BACKGROUND:
The protein E3 SUMO-protein ligase PIAS2, also referred to as Msx-interacting zinc finger protein and PIAS-NY protein, is integral to various cellular processes through its roles in the SUMOylation pathway. It stabilizes interactions between UBE2I and substrates, serving as a SUMO-tethering factor. PIAS2 is crucial in transcriptional coregulation across the STAT pathway, p53 pathway, and steroid hormone signaling pathway, mainly contributing to gene silencing and influencing transcriptional activities based on the biological context and isoform.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of E3 SUMO-protein ligase PIAS2 could open doors to potential therapeutic strategies.

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