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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9HAB3
UPID:
S52A2_HUMAN
Alternative names:
Porcine endogenous retrovirus A receptor 1; Protein GPR172A; Riboflavin transporter 3
Alternative UPACC:
Q9HAB3; A8K6B6; D3DWL8; G1UCY1; Q86UT1
Background:
Solute carrier family 52, riboflavin transporter, member 2 (SLC52A2), also known as Riboflavin transporter 3, plays a crucial role in the cellular uptake of vitamin B2/riboflavin. This protein is essential for the metabolism of carbohydrates, lipids, and amino acids, highlighting its importance in human nutrition and cellular function.
Therapeutic significance:
SLC52A2's dysfunction is linked to Brown-Vialetto-Van Laere syndrome 2, a neurologic disorder benefiting from riboflavin supplementation. Understanding SLC52A2's role could lead to novel therapeutic strategies for related metabolic disorders.