Focused On-demand Library for E3 ubiquitin-protein ligase TRIM35

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9UPQ4

UPID:

TRI35_HUMAN

Alternative names:

Hemopoietic lineage switch protein 5

Alternative UPACC:

Q9UPQ4; Q86XQ0; Q8WVA4

Background:

E3 ubiquitin-protein ligase TRIM35, also known as Hemopoietic lineage switch protein 5, plays a pivotal role in cell death, glucose metabolism, and the innate immune response. It is known for mediating 'Lys-63'-linked polyubiquitination of TRAF3, enhancing type I interferon production via the RIG-I signaling pathway. Additionally, TRIM35 can catalyze 'Lys-48'-linked polyubiquitination leading to the proteasomal degradation of viral proteins, such as the influenza virus PB2, and acts as a negative feedback regulator for TLR7- and TLR9-triggered signaling pathways.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase TRIM35 could open doors to potential therapeutic strategies, especially in enhancing antiviral responses and regulating immune signaling pathways.