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 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.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9NX46
UPID:
ADPRS_HUMAN
Alternative names:
ADP-ribose glycohydrolase ARH3; ADP-ribosylhydrolase 3; O-acetyl-ADP-ribose deacetylase ARH3; Poly(ADP-ribose) glycohydrolase ARH3; [Protein ADP-ribosylarginine] hydrolase-like protein 2; [Protein ADP-ribosylserine] hydrolase
Alternative UPACC:
Q9NX46; Q53G94; Q6IAB8; Q9BY47
Background:
ADP-ribosylhydrolase ARH3, known for its roles in DNA damage response and cell death prevention, hydrolyzes ADP-ribose linked to serine residues and degrades free poly(ADP-ribose). Its activity is crucial in mitigating the effects of DNA damage and stress on cellular functions.
Therapeutic significance:
Given its involvement in neurodegeneration, childhood-onset, stress-induced, with variable ataxia and seizures, targeting ADP-ribosylhydrolase ARH3 offers a promising avenue for therapeutic intervention in this debilitating disorder.