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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 use our state-of-the-art dedicated workflow for designing focused 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q96L15
UPID:
NAR5_HUMAN
Alternative names:
ADP-ribosyltransferase C2 and C3 toxin-like 5; Mono(ADP-ribosyl)transferase 5; NAD(P)(+)--arginine ADP-ribosyltransferase 5
Alternative UPACC:
Q96L15; C9IYG7; Q6UX84; Q86W02
Background:
Ecto-ADP-ribosyltransferase 5, known by its alternative names such as ADP-ribosyltransferase C2 and C3 toxin-like 5 and Mono(ADP-ribosyl)transferase 5, plays a crucial role in the ADP-ribosylation process. This modification involves the transfer of ADP-ribose from NAD+ to target proteins, impacting various cellular functions.
Therapeutic significance:
Understanding the role of Ecto-ADP-ribosyltransferase 5 could open doors to potential therapeutic strategies. Its involvement in key biochemical pathways underscores its potential as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.