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

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.

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 our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q01804

UPID:

OTUD4_HUMAN

Alternative names:

HIV-1-induced protein HIN-1

Alternative UPACC:

Q01804; B4DYS4; Q147U2; Q1ZYK1; Q6PG39; Q96MQ5; Q9NT94; Q9UPV6

Background:

OTU domain-containing protein 4, also known as HIV-1-induced protein HIN-1, plays a crucial role in cellular processes through its deubiquitinase activity. It specifically hydrolyzes the isopeptide bond between ubiquitin and target proteins, regulating inflammatory responses and pathogen recognition in the innate immune system. Its activity is modulated by phosphorylation, influencing the NF-kappa-B pathway by deubiquitinating the MYD88 adapter protein. Beyond its catalytic function, it serves as a scaffold for assembling deubiquitinase-substrate complexes, notably with USP7 and USP9X to stabilize the ALKBH3 enzyme, crucial for repairing alkylated DNA lesions.

Therapeutic significance:

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