Focused On-demand Library for Roquin-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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We employ our advanced, specialised process to create targeted 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 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

Q5TC82

UPID:

RC3H1_HUMAN

Alternative names:

RING finger and C3H zinc finger protein 1; RING finger and CCCH-type zinc finger domain-containing protein 1; RING finger protein 198

Alternative UPACC:

Q5TC82; B3KVK1; Q5W180; Q5W181; Q8IVE6; Q8N9V1

Background:

Roquin-1, known for its alternative names such as RING finger and C3H zinc finger protein 1, plays a crucial role in post-transcriptional repression of mRNAs. It targets mRNAs containing a conserved stem loop motif, leading to their degradation. This process is pivotal in controlling inflammation by suppressing the expression of key inflammatory mediators like TNF. Roquin-1's ability to interact with double-stranded RNA and act as a ubiquitin E3 ligase further underscores its multifaceted role in cellular processes.

Therapeutic significance:

The involvement of Roquin-1 in immune dysregulation and systemic hyperinflammation syndrome highlights its potential as a therapeutic target. By modulating Roquin-1 activity, it may be possible to develop strategies to mitigate the hyperinflammatory responses characteristic of this disorder, opening new avenues for treatment.