Focused On-demand Library for Probable E3 SUMO-protein ligase RNF212

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.


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 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening 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 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
Receptor.AI
 
UPACC
Q495C1

UPID:
RN212_HUMAN

ALTERNATIVE NAMES:
Probable E3 SUMO-protein transferase RNF212; RING finger protein 212

ALTERNATIVE UPACC:
Q495C1; C9J8N0; Q495C0; Q86W82; Q8IY99; Q8N8U7

BACKGROUND:
Probable E3 SUMO-protein ligase RNF212, also known as RING finger protein 212, is essential for proper meiotic recombination, acting to sumoylate and stabilize components of the MutS-gamma complex. This regulation ensures the precise execution of crossover events during meiosis, a fundamental process for sexual reproduction and genetic variation.

THERAPEUTIC SIGNIFICANCE:
Given its critical function in meiosis and its association with Spermatogenic failure 62, RNF212 represents a significant target for developing treatments for male infertility. Exploring the mechanisms by which RNF212 operates could lead to innovative therapeutic approaches, potentially revolutionizing fertility treatments.

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