Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q6ZNA5
UPID:
FRRS1_HUMAN
Alternative names:
Stromal cell-derived receptor 2
Alternative UPACC:
Q6ZNA5; A6NLN7
Background:
Ferric-chelate reductase 1, also known as Stromal cell-derived receptor 2, plays a crucial role in iron metabolism by reducing Fe(3+) to Fe(2+), facilitating its transport from the endosome to the cytoplasm. This process is vital for maintaining cellular iron homeostasis.
Therapeutic significance:
Understanding the role of Ferric-chelate reductase 1 could open doors to potential therapeutic strategies.