Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P02790
UPID:
HEMO_HUMAN
Alternative names:
Beta-1B-glycoprotein
Alternative UPACC:
P02790; B2R957
Background:
Hemopexin, also known as Beta-1B-glycoprotein, plays a crucial role in the body's iron metabolism. It binds heme, the iron-containing component of hemoglobin, and transports it to the liver. This process is essential for the breakdown of heme and the recovery of iron, which is then reused by the body. The free hemopexin, after delivering heme to the liver, returns to the circulation, ready to perform its function again.
Therapeutic significance:
Understanding the role of Hemopexin could open doors to potential therapeutic strategies. Its critical function in iron metabolism and heme transport suggests that enhancing its activity could be beneficial in conditions related to iron overload or heme toxicity.