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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P30519
UPID:
HMOX2_HUMAN
Alternative names:
-
Alternative UPACC:
P30519; A8MT35; D3DUD5; I3L430; O60605
Background:
Heme oxygenase 2, encoded by the gene with accession number P30519, plays a crucial role in heme metabolism. It catalyzes the oxidative cleavage of heme to generate biliverdin IXalpha, carbon monoxide (CO), and ferrous iron. This process is vital for the regulation of cellular iron levels and the protection against oxidative stress.
Therapeutic significance:
Understanding the role of Heme oxygenase 2 could open doors to potential therapeutic strategies. Its involvement in heme degradation positions it as a key player in managing conditions related to iron homeostasis and oxidative damage.