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.
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.
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 stands out due to several important features:
partner
Reaxense
upacc
P02786
UPID:
TFR1_HUMAN
Alternative names:
T9; p90
Alternative UPACC:
P02786; D3DXB0; Q1HE24; Q59G55; Q9UCN0; Q9UCU5; Q9UDF9; Q9UK21
Background:
Transferrin receptor protein 1 (T9, p90) plays a crucial role in cellular iron uptake through receptor-mediated endocytosis, essential for erythrocyte and nervous system development. It also regulates T and B cell proliferation via iron uptake and influences mitochondrial fusion by modulating the JNK pathway based on dietary stearate levels. Additionally, it serves as a receptor for certain arenaviruses.
Therapeutic significance:
Given its pivotal role in iron homeostasis and immune cell proliferation, targeting Transferrin receptor protein 1 could offer novel therapeutic avenues for treating Immunodeficiency 46, characterized by chronic diarrhea, recurrent infections, and various hematological anomalies.