Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P28907
UPID:
CD38_HUMAN
Alternative names:
2'-phospho-ADP-ribosyl cyclase; 2'-phospho-ADP-ribosyl cyclase/2'-phospho-cyclic-ADP-ribose transferase; 2'-phospho-cyclic-ADP-ribose transferase; ADP-ribosyl cyclase 1; Cyclic ADP-ribose hydrolase 1; T10
Alternative UPACC:
P28907; O00121; O00122; Q96HY4
Background:
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, known by alternative names such as 2'-phospho-ADP-ribosyl cyclase and cyclic ADP-ribose hydrolase 1, plays a pivotal role in cellular processes. It synthesizes cyclic ADP-ribose and nicotinate-adenine dinucleotide phosphate, crucial for glucose-induced insulin secretion and calcium mobilization. This protein exhibits versatility in its enzymatic activity, transforming substrates into vital cellular messengers at both acidic and neutral pH levels.
Therapeutic significance:
Understanding the role of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 could open doors to potential therapeutic strategies.