Focused On-demand Library for RanBP-type and C3HC4-type zinc finger-containing protein 1

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
Q9BYM8

UPID:
HOIL1_HUMAN

ALTERNATIVE NAMES:
HBV-associated factor 4; Heme-oxidized IRP2 ubiquitin ligase 1; Hepatitis B virus X-associated protein 4; RING finger protein 54; RING-type E3 ubiquitin transferase HOIL-1; Ubiquitin-conjugating enzyme 7-interacting protein 3

ALTERNATIVE UPACC:
Q9BYM8; O95623; Q86SL2; Q96BS3; Q9BYM9

BACKGROUND:
The protein HOIL-1, with alternative names such as HBV-associated factor 4 and RING-type E3 ubiquitin transferase HOIL-1, is integral to the ubiquitination process, impacting NF-kappa-B activation and inflammation. Its role extends to the regulation of cell death and innate immunity, highlighting its importance in cellular homeostasis and defense against pathogens.

THERAPEUTIC SIGNIFICANCE:
HOIL-1's involvement in Polyglucosan body myopathy 1 and its critical function in the immune system's regulation make it a promising target for drug discovery. Understanding the role of HOIL-1 could open doors to potential therapeutic strategies, offering hope for conditions linked to immune dysfunction and chronic inflammation.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.