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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening 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

Reaxense

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:

E3 ubiquitin-protein ligase RNF139, also known as RING finger protein 139, plays a pivotal role in cellular processes by acting as a negative regulator of cell proliferation. It is involved in G2/M arrest, cell death, and the ubiquitination of MHC class I in the presence of cytomegalovirus protein US2. RNF139 also influences cholesterol metabolism by affecting SREBP processing and the sterol-accelerated degradation of HMGCR through interactions with INSIG1 and INSIG2.

Therapeutic significance:

RNF139's involvement in renal cell carcinoma, particularly through chromosomal aberrations and mutations, highlights its potential as a therapeutic target. Understanding the role of E3 ubiquitin-protein ligase RNF139 could open doors to potential therapeutic strategies for treating renal cell carcinoma and possibly other related cancers.