Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P08397
UPID:
HEM3_HUMAN
Alternative names:
Hydroxymethylbilane synthase; Pre-uroporphyrinogen synthase
Alternative UPACC:
P08397; A8K2L0; G3V1P4; G5EA58; P08396; Q16012
Background:
Porphobilinogen deaminase, also known as Hydroxymethylbilane synthase or Pre-uroporphyrinogen synthase, plays a crucial role in the heme biosynthetic pathway. It catalyzes the polymerization of porphobilinogen to form hydroxymethylbilane, a key precursor in the synthesis of heme, an essential component of hemoglobin, myoglobin, and various cytochromes.
Therapeutic significance:
Mutations in Porphobilinogen deaminase are linked to Acute Intermittent Porphyria (AIP), a condition characterized by gastrointestinal disturbances, neurological dysfunctions, and cardiovascular issues. Understanding the enzyme's function and its genetic variants opens avenues for targeted therapies, potentially offering relief to those affected by AIP.