Focused On-demand Library for E3 ubiquitin-protein ligase RNF216

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9NWF9

UPID:

RN216_HUMAN

Alternative names:

RING finger protein 216; RING-type E3 ubiquitin transferase RNF216; Triad domain-containing protein 3; Ubiquitin-conjugating enzyme 7-interacting protein 1; Zinc finger protein inhibiting NF-kappa-B

Alternative UPACC:

Q9NWF9; Q6Y691; Q75ML7; Q7Z2H7; Q7Z7C1; Q8NHW7; Q9NYT1

Background:

E3 ubiquitin-protein ligase RNF216, known for its roles as an E3 ubiquitin ligase, is pivotal in cellular processes through the ubiquitination pathway. It is involved in the degradation of key signaling molecules such as TRAF3, TLR4, and TLR9, playing a crucial role in antiviral responses and immune regulation. Its alternative names include RING finger protein 216 and Zinc finger protein inhibiting NF-kappa-B.

Therapeutic significance:

RNF216's mutation is linked to Gordon Holmes syndrome, characterized by cerebellar ataxia and hypogonadism, highlighting its therapeutic potential. Understanding RNF216's function could lead to novel treatments for this syndrome and other ubiquitin-mediated diseases.