Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
O14569
UPID:
C56D2_HUMAN
Alternative names:
Cytochrome b561 domain-containing protein 2; Putative tumor suppressor protein 101F6
Alternative UPACC:
O14569; A8K552
Background:
Transmembrane reductase CYB561D2, also known as Cytochrome b561 domain-containing protein 2 and Putative tumor suppressor protein 101F6, plays a crucial role in cellular redox processes. It functions by transferring electrons across endoplasmic reticulum membranes, utilizing ascorbate as an electron donor to reduce monodehydro-L-ascorbate radical and iron cations Fe(3+) within the lumen.
Therapeutic significance:
Understanding the role of Transmembrane reductase CYB561D2 could open doors to potential therapeutic strategies.