Focused On-demand Library for E3 ubiquitin-protein ligase RNF13

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.

Our top-notch dedicated system is used to design specialised 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

O43567

UPID:

RNF13_HUMAN

Alternative names:

RING finger protein 13

Alternative UPACC:

O43567; A6NC87; B3KR12; Q05D66; Q6IBJ9

Background:

E3 ubiquitin-protein ligase RNF13, also known as RING finger protein 13, plays a pivotal role in cell proliferation and apoptosis regulation. It is instrumental in mediating ER stress-induced activation of the JNK signaling pathway and apoptosis, alongside its involvement in protein trafficking and localization.

Therapeutic significance:

The protein's association with Developmental and Epileptic Encephalopathy 73 (DEE73), a severe early-onset epilepsy characterized by refractory seizures and neurodevelopmental impairment, underscores its therapeutic significance. Understanding the role of E3 ubiquitin-protein ligase RNF13 could open doors to potential therapeutic strategies for this debilitating condition.