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.
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 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
P52961
UPID:
NAR1_HUMAN
Alternative names:
ADP-ribosyltransferase C2 and C3 toxin-like 1; Mono(ADP-ribosyl)transferase 1
Alternative UPACC:
P52961; Q6NTD2; Q96KT9
Background:
GPI-linked NAD(P)(+)--arginine ADP-ribosyltransferase 1, also known as ADP-ribosyltransferase C2 and C3 toxin-like 1 or Mono(ADP-ribosyl)transferase 1, plays a crucial role in cellular processes through its ADP-ribosyltransferase activity toward GLP1R. This enzyme's unique function highlights its importance in the regulation of intracellular signaling pathways.
Therapeutic significance:
Understanding the role of GPI-linked NAD(P)(+)--arginine ADP-ribosyltransferase 1 could open doors to potential therapeutic strategies. Its specific activity towards GLP1R suggests a pivotal role in metabolic pathways, which could be harnessed to develop novel treatments for metabolic disorders.