Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q30201
UPID:
HFE_HUMAN
Alternative names:
HLA-H
Alternative UPACC:
Q30201; B2CKL0; O75929; O75930; O75931; Q17RT0; Q96KU5; Q96KU6; Q96KU7; Q96KU8; Q9HC64; Q9HC68; Q9HC70; Q9HC83
Background:
The Hereditary hemochromatosis protein, also known as HLA-H, plays a crucial role in iron metabolism by binding to the transferrin receptor (TFR) and reducing its affinity for iron-loaded transferrin. This protein's function is pivotal in maintaining iron homeostasis in the body.
Therapeutic significance:
HLA-H is implicated in several diseases, including Hemochromatosis 1, Variegate porphyria, and Microvascular complications of diabetes 7. These associations highlight the protein's potential as a target for therapeutic interventions aimed at treating iron overload conditions and their complications.