Focused On-demand Library for OTU domain-containing protein 4

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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 screening 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 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
Q01804

UPID:
OTUD4_HUMAN

ALTERNATIVE NAMES:
HIV-1-induced protein HIN-1

ALTERNATIVE UPACC:
Q01804; B4DYS4; Q147U2; Q1ZYK1; Q6PG39; Q96MQ5; Q9NT94; Q9UPV6

BACKGROUND:
The OTU domain-containing protein 4, known alternatively as HIV-1-induced protein HIN-1, is integral to the regulation of ubiquitination processes. It negates the ubiquitin linkage on lysine residues of target proteins, playing a pivotal role in dampening inflammatory signals and facilitating innate immune responses. Phosphorylation at specific serine residues enhances its ability to selectively deubiquitinate 'Lys-63'-polyubiquitinated MYD88, thereby attenuating NF-kappa-B-mediated transcription of pro-inflammatory mediators. Additionally, it collaborates with other deubiquitinases like USP7 and USP9X to ensure the stability and functionality of the DNA repair enzyme ALKBH3.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of OTU domain-containing protein 4 could open doors to potential therapeutic strategies.

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