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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q8N5Y8
UPID:
PAR16_HUMAN
Alternative names:
ADP-ribosyltransferase diphtheria toxin-like 15; Poly [ADP-ribose] polymerase 16
Alternative UPACC:
Q8N5Y8; A0A024R5Y7; Q6PK64; Q9NX03
Background:
Protein mono-ADP-ribosyltransferase PARP16, also known as ADP-ribosyltransferase diphtheria toxin-like 15 and Poly [ADP-ribose] polymerase 16, is an intracellular enzyme with pivotal roles in protein translation and the unfolded protein response (UPR). It functions by mono-ADP-ribosylating ribosomal subunits and key UPR effectors, thereby modulating protein synthesis and stress responses.
Therapeutic significance:
Understanding the role of Protein mono-ADP-ribosyltransferase PARP16 could open doors to potential therapeutic strategies. Its involvement in critical cellular processes highlights its potential as a target for drug discovery, aiming to modulate protein synthesis and stress response pathways for therapeutic benefit.