Focused On-demand Library for ADP-ribosylhydrolase ARH1

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.

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.

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

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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P54922

UPID:

ADPRH_HUMAN

Alternative names:

ADP-ribose-L-arginine cleaving enzyme; [Protein ADP-ribosylarginine] hydrolase

Alternative UPACC:

P54922; B2R8H1; D3DN83

Background:

ADP-ribosylhydrolase ARH1, also known as ADP-ribose-L-arginine cleaving enzyme or [Protein ADP-ribosylarginine] hydrolase, plays a crucial role in cellular processes by specifically acting as an arginine mono-ADP-ribosylhydrolase. This enzyme is pivotal in mediating the removal of mono-ADP-ribose attached to arginine residues on proteins, a process essential for maintaining protein function and cellular homeostasis.

Therapeutic significance:

Understanding the role of ADP-ribosylhydrolase ARH1 could open doors to potential therapeutic strategies. Its unique enzymatic activity in protein regulation underscores its potential as a target for drug discovery, aiming to modulate protein functions in various diseases.