Focused On-demand Library for E3 ubiquitin-protein ligase TRIM11

Focused On-demand Libraries - Reaxense 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.

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

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening 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

Reaxense

upacc

Q96F44

UPID:

TRI11_HUMAN

Alternative names:

Protein BIA1; RING finger protein 92; Tripartite motif-containing protein 11

Alternative UPACC:

Q96F44; A6NKE2; B2RB82; B3KUS3; B4DX88; Q5VSU1; Q8NCA6; Q9C022

Background:

E3 ubiquitin-protein ligase TRIM11, also known as Protein BIA1 and RING finger protein 92, plays a crucial role in cellular processes by promoting the degradation of insoluble ubiquitinated proteins. It is involved in modulating cortical neurogenesis through the ubiquitination and subsequent proteasomal degradation of PAX6, and regulates the intracellular level of humanin or HN-containing proteins. TRIM11's antiviral activity, particularly against HIV-1 and murine leukemia virus, is attributed to its ability to suppress viral gene expression through a functional E3 ubiquitin-protein ligase domain.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase TRIM11 could open doors to potential therapeutic strategies.