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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q6ZVN8
UPID:
RGMC_HUMAN
Alternative names:
Hemochromatosis type 2 protein; Hemojuvelin BMP coreceptor; RGM domain family member C
Alternative UPACC:
Q6ZVN8; B1ALI7; Q2PQ63; Q6IMF6; Q8NAH2; Q8WVJ5
Background:
Hemojuvelin, also known as Hemochromatosis type 2 protein, plays a pivotal role in iron metabolism. It acts as a bone morphogenetic protein (BMP) coreceptor, enhancing BMP signaling to regulate hepcidin expression and maintain iron homeostasis.
Therapeutic significance:
Hemojuvelin's malfunction is linked to Hemochromatosis 2A, a juvenile form of hemochromatosis characterized by excessive iron deposition, leading to organ failure and diabetes. Understanding its role could pave the way for innovative treatments for iron metabolism disorders.