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 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.
We employ our advanced, specialised process to create targeted 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P02760
UPID:
AMBP_HUMAN
Alternative names:
Protein HC
Alternative UPACC:
P02760; P00977; P02759; P78491; Q2TU33; Q5TBD7; Q9UC58; Q9UDI8
Background:
Protein AMBP, also known as Protein HC, exhibits a broad spectrum of biological activities, including antioxidant and tissue repair functions. It plays a crucial role in red cell homeostasis, protecting against oxidative damage and preserving mitochondrial ATP synthesis. Its ability to bind and degrade free heme and reduce methemoglobin underscores its importance in maintaining cellular integrity.
Therapeutic significance:
Understanding the role of Protein AMBP could open doors to potential therapeutic strategies. Its involvement in mitigating oxidative stress and repairing tissue damage positions it as a key target for developing treatments aimed at protecting cells from oxidative damage and enhancing tissue repair mechanisms.