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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q96QZ7
UPID:
MAGI1_HUMAN
Alternative names:
Atrophin-1-interacting protein 3; BAI1-associated protein 1; Membrane-associated guanylate kinase inverted 1; Trinucleotide repeat-containing gene 19 protein; WW domain-containing protein 3
Alternative UPACC:
Q96QZ7; A8K188; O00309; O43863; O75085; Q96QZ8; Q96QZ9
Background:
Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1, known by alternative names such as Atrophin-1-interacting protein 3 and BAI1-associated protein 1, plays a crucial role as a scaffolding protein at cell-cell junctions. It is involved in regulating acid-induced ASIC3 currents by modulating its expression at the cell surface.
Therapeutic significance:
Understanding the role of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 could open doors to potential therapeutic strategies.