Focused On-demand Library for Apoptosis-resistant E3 ubiquitin protein ligase 1

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.

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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

O15033

UPID:

AREL1_HUMAN

Alternative names:

Apoptosis-resistant HECT-type E3 ubiquitin transferase 1

Alternative UPACC:

O15033; B4E2C7; Q7LDY1; Q8IYY9

Background:

Apoptosis-resistant E3 ubiquitin protein ligase 1, alternatively known as Apoptosis-resistant HECT-type E3 ubiquitin transferase 1, plays a crucial role in ubiquitination processes. It catalyzes 'Lys-11'- or 'Lys-33'-linked polyubiquitin chains, showing a preference for 'Lys-33' linkages. This enzyme accepts ubiquitin from an E2 ubiquitin-conjugating enzyme and transfers it to targeted substrates, including SEPTIN4, DIABLO/SMAC, and HTRA2.

Therapeutic significance:

Understanding the role of Apoptosis-resistant E3 ubiquitin protein ligase 1 could open doors to potential therapeutic strategies. Its ability to modulate pulmonary inflammation by targeting SOCS2 for ubiquitination and degradation highlights its significance in inflammatory pathways.