Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q460N3
UPID:
PAR15_HUMAN
Alternative names:
ADP-ribosyltransferase diphtheria toxin-like 7; B-aggressive lymphoma protein 3; Poly [ADP-ribose] polymerase 15
Alternative UPACC:
Q460N3; J3KR47; Q8N1K3
Background:
Protein mono-ADP-ribosyltransferase PARP15, also known as ADP-ribosyltransferase diphtheria toxin-like 7, B-aggressive lymphoma protein 3, and Poly [ADP-ribose] polymerase 15, plays a crucial role in the mono-ADP-ribosylation of target proteins. This process is essential for regulating various cellular functions, including acting as a negative regulator of transcription.
Therapeutic significance:
Understanding the role of Protein mono-ADP-ribosyltransferase PARP15 could open doors to potential therapeutic strategies. Its involvement in key cellular processes highlights its potential as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.