Focused On-demand Library for E3 ubiquitin-protein ligase RNF139

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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 screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Receptor.AI
 
UPACC
Q8WU17

UPID:
RN139_HUMAN

ALTERNATIVE NAMES:
RING finger protein 139; RING-type E3 ubiquitin transferase RNF139; Translocation in renal carcinoma on chromosome 8 protein

ALTERNATIVE UPACC:
Q8WU17; B3KMD5; O75485; Q7LDL3

BACKGROUND:
The protein E3 ubiquitin-protein ligase RNF139, known for its alternative names such as RING finger protein 139, serves as a crucial regulator in cell cycle control and apoptosis. It plays a significant role in the ubiquitination process, particularly for MHC class I in response to viral proteins, and regulates lipid metabolism by modulating SREBP processing and HMGCR degradation. This regulation is essential for maintaining cellular cholesterol levels.

THERAPEUTIC SIGNIFICANCE:
Given its critical function in renal cell carcinoma development, RNF139 presents a promising target for novel therapeutic interventions. The protein's role in tumor genesis and progression, through genetic alterations, underscores the importance of further research into RNF139 as a cornerstone for innovative cancer treatments.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


Page 988 of 8789