Focused On-demand Library for Biliverdin reductase A

Focused On-demand Libraries - Receptor.AI Collaboration


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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening 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:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

PARTNER
Receptor.AI
 
UPACC
P53004

UPID:
BIEA_HUMAN

ALTERNATIVE NAMES:
Biliverdin-IX alpha-reductase

ALTERNATIVE UPACC:
P53004; A8K747; O95019; Q86UX0; Q96QL4; Q9BRW8

BACKGROUND:
The enzyme Biliverdin reductase A, known for its alternative name Biliverdin-IX alpha-reductase, is essential in converting biliverdin IX alpha to bilirubin. This reaction is a key step in the catabolism of heme, facilitated by the oxidation of NADH or NADPH cofactors, with a preference for NADPH in biological systems.

THERAPEUTIC SIGNIFICANCE:
The association of Biliverdin reductase A with Hyperbiliverdinemia, a disease marked by green jaundice due to increased biliverdin, underscores its clinical importance. Exploring Biliverdin reductase A's function offers promising avenues for developing novel treatments for liver-related diseases and improving our understanding of bilirubin metabolism.

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