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.
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.
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9Y2W3
UPID:
S45A1_HUMAN
Alternative names:
Deleted in neuroblastoma 5 protein; Solute carrier family 45 member 1
Alternative UPACC:
Q9Y2W3; A0A0A0MT80; Q5VY46; Q5VY49
Background:
The Proton-associated sugar transporter A, also known as Deleted in neuroblastoma 5 protein and Solute carrier family 45 member 1, plays a crucial role as a proton-associated glucose transporter in the brain. This protein's unique function underscores its importance in maintaining glucose homeostasis within the central nervous system.
Therapeutic significance:
Linked to Intellectual developmental disorder with neuropsychiatric features, this protein's dysfunction highlights a potential target for therapeutic intervention. Understanding the role of Proton-associated sugar transporter A could open doors to potential therapeutic strategies aimed at mitigating the symptoms associated with this disorder.