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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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.
Our top-notch dedicated system is used to design specialised 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P10746
UPID:
HEM4_HUMAN
Alternative names:
Hydroxymethylbilane hydrolyase [cyclizing]; Uroporphyrinogen-III cosynthase
Alternative UPACC:
P10746; B2RC13; D3DRF7; Q9H2T1
Background:
Uroporphyrinogen-III synthase plays a pivotal role in heme biosynthesis, catalyzing the transformation of hydroxymethylbilane into uroporphyrinogen III. This process is crucial for the production of porphyrins, which serve as essential cofactors in various cellular functions, including oxygen transport and enzyme catalysis.
Therapeutic significance:
The enzyme's deficiency is linked to Congenital erythropoietic porphyria, a disorder characterized by abnormal accumulation of porphyrin precursors, leading to severe photosensitivity and hemolytic anemia. Targeting Uroporphyrinogen-III synthase activity could offer a therapeutic avenue for managing this condition.