Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
Our top-notch dedicated system is used to design specialised 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 stands out due to several important features:
partner
Reaxense
upacc
P30043
UPID:
BLVRB_HUMAN
Alternative names:
Biliverdin reductase B; Biliverdin-IX beta-reductase; Green heme-binding protein; NADPH-dependent diaphorase; NADPH-flavin reductase
Alternative UPACC:
P30043; A6NKD8; B2R5C6; P32078; P53005; Q32LZ2
Background:
Flavin reductase (NADPH), also known as Biliverdin reductase B, plays a crucial role in the body's metabolic processes. It exhibits broad specificity, catalyzing the NADPH-dependent reduction of various flavins, biliverdins, methemoglobin, and PQQ. This enzyme is pivotal in heme catabolism and the metabolism of linear tetrapyrroles, also facilitating the reduction of Fe(3+) to Fe(2+) in the liver, aiding in the conversion of biliverdin to bilirubin.
Therapeutic significance:
Understanding the role of Flavin reductase (NADPH) could open doors to potential therapeutic strategies.