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 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 utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8WU10
UPID:
PYRD1_HUMAN
Alternative names:
-
Alternative UPACC:
Q8WU10; A6NKI6; B3KWN8; Q9H6P1
Background:
Pyridine nucleotide-disulfide oxidoreductase domain-containing protein 1 plays a crucial role in the cellular oxidative stress response, as suggested by its probable function as an FAD-dependent oxidoreductase. It is essential for maintaining normal sarcomere structure and muscle fiber integrity, highlighting its significance in muscle physiology.
Therapeutic significance:
Linked to Myopathy, myofibrillar, 8, a neuromuscular disorder characterized by muscle weakness and structural abnormalities, this protein's dysfunction underscores its potential as a target for therapeutic intervention. Understanding the role of Pyridine nucleotide-disulfide oxidoreductase domain-containing protein 1 could open doors to potential therapeutic strategies.