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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
Our high-tech, dedicated method is applied to construct targeted 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:
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.