Focused On-demand Library for Double-stranded RNA-specific editase B2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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 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

Q9NS39

UPID:

RED2_HUMAN

Alternative names:

RNA-dependent adenosine deaminase 3; RNA-editing deaminase 2; RNA-editing enzyme 2; dsRNA adenosine deaminase B2

Alternative UPACC:

Q9NS39; B2RPJ5; Q5VUT6; Q5VW42

Background:

Double-stranded RNA-specific editase B2, also known as RNA-dependent adenosine deaminase 3, plays a crucial role in RNA editing by binding to both double-stranded (dsRNA) and single-stranded RNA (ssRNA). Despite lacking editing activity, it inhibits other ADAR enzymes from binding to their targets, thereby modulating RNA editing efficiency.

Therapeutic significance:

Understanding the role of Double-stranded RNA-specific editase B2 could open doors to potential therapeutic strategies. Its ability to regulate the activity of other ADAR enzymes highlights its significance in RNA editing processes, which are vital for gene expression and regulation.