Focused On-demand Library for E3 ubiquitin-protein ligase LRSAM1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop 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

Q6UWE0

UPID:

LRSM1_HUMAN

Alternative names:

Leucine-rich repeat and sterile alpha motif-containing protein 1; RING-type E3 ubiquitin transferase LRSAM1; Tsg101-associated ligase

Alternative UPACC:

Q6UWE0; Q5VVV0; Q8NB40; Q96GT5; Q96MX5; Q96MZ7

Background:

E3 ubiquitin-protein ligase LRSAM1, also known as Leucine-rich repeat and sterile alpha motif-containing protein 1, plays a crucial role in cellular processes through the monoubiquitination of TSG101. This modification inactivates TSG101's sorting abilities for both endocytic and exocytic cargos, impacting EGF receptor and HIV-1 viral protein trafficking. Additionally, LRSAM1 acts as a bacterial recognition protein, initiating autophagy-mediated degradation of intracellular pathogens.

Therapeutic significance:

LRSAM1's involvement in Charcot-Marie-Tooth disease, axonal, 2P, a peripheral nervous system disorder, highlights its potential as a therapeutic target. Understanding the role of E3 ubiquitin-protein ligase LRSAM1 could open doors to potential therapeutic strategies for treating this progressive condition.