Focused On-demand Library for E3 ubiquitin-protein ligase TRIM32

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

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 comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q13049

UPID:

TRI32_HUMAN

Alternative names:

72 kDa Tat-interacting protein; RING-type E3 ubiquitin transferase TRIM32; Tripartite motif-containing protein 32; Zinc finger protein HT2A

Alternative UPACC:

Q13049; Q9NQP8

Background:

E3 ubiquitin-protein ligase TRIM32, known for its E3 ubiquitin ligase activity, plays a pivotal role in various cellular processes. It ubiquitinates and promotes degradation of several proteins, including DTNBP1 and PIAS4, and is involved in autophagy regulation. TRIM32's interaction with HIV-1 Tat highlights its significance in microbial infection.

Therapeutic significance:

TRIM32's involvement in muscular dystrophy, limb-girdle, autosomal recessive 8, and Bardet-Biedl syndrome 11, underscores its therapeutic potential. Understanding TRIM32's role could lead to novel treatments for these genetic disorders.