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

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused 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 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

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.