Focused On-demand Library for E3 ubiquitin-protein ligase TRIM50

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.

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

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q86XT4

UPID:

TRI50_HUMAN

Alternative names:

RING-type E3 ubiquitin transferase TRIM50; Tripartite motif-containing protein 50

Alternative UPACC:

Q86XT4; Q2M204; Q86XT3

Background:

E3 ubiquitin-protein ligase TRIM50, also known as RING-type E3 ubiquitin transferase TRIM50 and Tripartite motif-containing protein 50, plays a pivotal role in cellular processes. It ubiquitinates Beclin-1/BECN1, enhancing its binding to ULK1 and promoting starvation-induced autophagy activation. Additionally, it interacts with p62/SQSTM1, facilitating the autophagy clearance of aggresome-associated polyubiquitinated proteins through HDAC6 interaction. TRIM50 also activates the NLRP3 inflammasome by inducing NLRP3 oligomerization, independent of its E3 ligase function.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase TRIM50 could open doors to potential therapeutic strategies.