Focused On-demand Library for Double-stranded RNA-specific editase 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P78563

UPID:

RED1_HUMAN

Alternative names:

RNA-editing deaminase 1; RNA-editing enzyme 1; dsRNA adenosine deaminase

Alternative UPACC:

P78563; A6NFK8; A6NJ84; C3TTQ1; C3TTQ2; C9JUP4; G5E9B4; O00395; O00465; O00691; O00692; P78555; Q4AE77; Q4AE79; Q6P0M9; Q8NFA1; Q8NFD1

Background:

Double-stranded RNA-specific editase 1, also known as RNA-editing deaminase 1, plays a crucial role in the A-to-I RNA editing process. This editing influences gene expression and function through various mechanisms, including mRNA translation, pre-mRNA splicing, and RNA stability. It edits both viral and cellular RNAs, impacting the functional activities of several proteins such as neurotransmitter receptors and ion channels by inducing amino acid substitutions.

Therapeutic significance:

The involvement of Double-stranded RNA-specific editase 1 in neurodevelopmental disorder with hypotonia, microcephaly, and seizures highlights its potential as a therapeutic target. Understanding the role of this protein could open doors to potential therapeutic strategies for treating this debilitating condition.