Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P36551
UPID:
HEM6_HUMAN
Alternative names:
-
Alternative UPACC:
P36551; A8K275; B4DSD5; Q14060; Q53F08; Q8IZ45; Q96AF3
Background:
Oxygen-dependent coproporphyrinogen-III oxidase, mitochondrial, encoded by the gene with accession number P36551, plays a pivotal role in heme biosynthesis. It catalyzes the aerobic oxidative decarboxylation of propionate groups in coproporphyrinogen-III, a crucial step in the conversion to protoporphyrinogen-IX.
Therapeutic significance:
Mutations in this enzyme are linked to hereditary coproporphyria and harderoporphyria, diseases characterized by neurological, psychiatric symptoms, and neonatal hemolytic anemia. Understanding its function could lead to novel treatments for these porphyrias.