Focused On-demand Library for ATP-binding cassette sub-family E member 1

Focused On-demand Libraries - Reaxense 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 our partner Reaxense.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P61221

UPID:

ABCE1_HUMAN

Alternative names:

2'-5'-oligoadenylate-binding protein; HuHP68; RNase L inhibitor; Ribonuclease 4 inhibitor

Alternative UPACC:

P61221; O88793; Q13181; Q13864; Q6NR76; Q96AL0; Q96B10; Q99K66

Background:

ATP-binding cassette sub-family E member 1 (P61221), also known as 2'-5'-oligoadenylate-binding protein, HuHP68, RNase L inhibitor, and Ribonuclease 4 inhibitor, plays a crucial role in ribosome recycling by mediating ribosome disassembly. It hydrolyzes ATP, GTP, UTP, and CTP, facilitating the split of ribosomes into free 60S subunits and tRNA- and mRNA-bound 40S subunits. This protein is involved in the No-Go Decay (NGD) pathway, quality control of mitochondrial mRNA translation, and the PINK1-regulated mitophagy pathway. It also inhibits RNASEL and interacts with viral infections, including HIV-1 and EMCV.

Therapeutic significance:

Understanding the role of ATP-binding cassette sub-family E member 1 could open doors to potential therapeutic strategies.