Focused On-demand Library for E3 SUMO-protein ligase PIAS4

Focused On-demand Libraries - Reaxense 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 our associate 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

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

Reaxense

upacc

Q8N2W9

UPID:

PIAS4_HUMAN

Alternative names:

PIASy; Protein inhibitor of activated STAT protein 4; Protein inhibitor of activated STAT protein gamma

Alternative UPACC:

Q8N2W9; O75926; Q96G19; Q9UN16

Background:

E3 SUMO-protein ligase PIAS4, also known as PIASy, plays a pivotal role in cellular processes by functioning as an E3-type small ubiquitin-like modifier (SUMO) ligase. It stabilizes interactions between UBE2I and substrates, facilitating sumoylation of various proteins including CEBPA, PARK7, and MYB. PIAS4 is integral in transcriptional coregulation across the STAT, p53/TP53, Wnt, and steroid hormone signaling pathways. It also binds to AT-rich DNA sequences and catalyzes SUMO2 conjugation to KAT5, aiding in DNA repair.

Therapeutic significance:

Understanding the role of E3 SUMO-protein ligase PIAS4 could open doors to potential therapeutic strategies.