Focused On-demand Library for Ecto-ADP-ribosyltransferase 3

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.

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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.

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

Q13508

UPID:

NAR3_HUMAN

Alternative names:

ADP-ribosyltransferase C2 and C3 toxin-like 3; Mono(ADP-ribosyl)transferase 3; NAD(P)(+)--arginine ADP-ribosyltransferase 3

Alternative UPACC:

Q13508; Q53XW3; Q6FHT7; Q8WVJ7; Q93069; Q96HL1

Background:

Ecto-ADP-ribosyltransferase 3, known by its alternative names such as ADP-ribosyltransferase C2 and C3 toxin-like 3 and Mono(ADP-ribosyl)transferase 3, plays a crucial role in the ADP-ribosylation process, a post-translational modification involving the addition of ADP-ribose moieties to arginine residues on target proteins. This enzymatic activity is pivotal in cellular signaling and regulation.

Therapeutic significance:

Understanding the role of Ecto-ADP-ribosyltransferase 3 could open doors to potential therapeutic strategies. Its involvement in key cellular processes underscores its potential as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.