Focused On-demand Library for E3 ubiquitin-protein ligase TRIM7

Focused On-demand Libraries - Reaxense 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.

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.

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 use our state-of-the-art dedicated workflow for designing focused 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

Q9C029

UPID:

TRIM7_HUMAN

Alternative names:

Glycogenin-interacting protein; RING finger protein 90; Tripartite motif-containing protein 7

Alternative UPACC:

Q9C029; A2RUE4; D3DWR7; Q969F5; Q96F67; Q96J89; Q96J90

Background:

E3 ubiquitin-protein ligase TRIM7, also known as Glycogenin-interacting protein, RING finger protein 90, and Tripartite motif-containing protein 7, plays a pivotal role in various biological processes. It exhibits both tumor-suppressing and tumor-promoting activities, regulates innate immunity, ferroptosis, cell proliferation, and migration. TRIM7 acts as an antiviral effector against multiple viruses, including norovirus and SARS-CoV-2, by targeting viral proteins for ubiquitination and degradation. It also mediates 'Lys-63'-linked polyubiquitination, stabilizing the JUN coactivator RNF187, and promotes TLR4-mediated signaling for pro-inflammatory cytokine production.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase TRIM7 could open doors to potential therapeutic strategies.