Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
P43652
UPID:
AFAM_HUMAN
Alternative names:
Alpha-albumin
Alternative UPACC:
P43652; A8K3E1; Q32MR3; Q4W5C5
Background:
Afamin, also known as Alpha-albumin, plays a crucial role as a carrier for hydrophobic molecules in body fluids. It is essential for the solubility and activity of lipidated Wnt family members, crucial in cell signaling and development. Afamin's ability to bind vitamin E and potentially transport it across the blood-brain barrier highlights its significance in maintaining neurological health.
Therapeutic significance:
Understanding the role of Afamin could open doors to potential therapeutic strategies. Its involvement in Wnt signaling pathways and vitamin E transport suggests its potential in addressing neurological disorders and diseases influenced by Wnt signaling dysregulation.