Focused On-demand Library for E3 ubiquitin-protein ligase SHPRH

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We utilise our cutting-edge, exclusive workflow to develop 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.

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

Q149N8

UPID:

SHPRH_HUMAN

Alternative names:

RING-type E3 ubiquitin transferase SHPRH; SNF2, histone-linker, PHD and RING finger domain-containing helicase

Alternative UPACC:

Q149N8; Q149N9; Q5VV79; Q68DS5; Q7Z5J5; Q8IVE8; Q8IWQ9; Q8N1S8; Q8NBR7

Background:

E3 ubiquitin-protein ligase SHPRH plays a crucial role in DNA repair, particularly under genotoxic stress. It functions by accepting ubiquitin from the UBE2N-UBE2V2 E2 complex and transferring it to 'Lys-164' of PCNA, previously monoubiquitinated by UBE2A/B-RAD18. This promotes the formation of non-canonical poly-ubiquitin chains linked through 'Lys-63'. Known alternatively as RING-type E3 ubiquitin transferase SHPRH and SNF2, histone-linker, PHD, and RING finger domain-containing helicase, this protein is pivotal in maintaining genomic stability.

Therapeutic significance:

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