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 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P09601
UPID:
HMOX1_HUMAN
Alternative names:
-
Alternative UPACC:
P09601
Background:
Heme oxygenase 1, encoded by the gene with accession number P09601, plays a crucial role in the oxidative cleavage of heme, producing carbon monoxide, biliverdin IXalpha, and ferrous iron. This process is vital for cellular protection against apoptosis, particularly in conditions of excess free heme. Additionally, during SARS-CoV-2 infection, it promotes autophagy, highlighting its significance in viral response mechanisms.
Therapeutic significance:
Heme oxygenase 1 deficiency is a severe condition marked by persistent hemolytic anemia, asplenia, and organ damage, underscoring the protein's critical protective functions. Understanding the role of Heme oxygenase 1 could open doors to potential therapeutic strategies, especially for conditions related to impaired stress hematopoiesis and viral infections.