Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 our partner 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.
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
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.