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.
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.
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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P31749
UPID:
AKT1_HUMAN
Alternative names:
Protein kinase B; Protein kinase B alpha; Proto-oncogene c-Akt; RAC-PK-alpha
Alternative UPACC:
P31749; B2RAM5; B7Z5R1; Q9BWB6
Background:
RAC-alpha serine/threonine-protein kinase, also known as Protein kinase B or AKT1, plays a pivotal role in cellular processes such as metabolism, proliferation, cell survival, growth, and angiogenesis. This kinase is part of the AKT kinase family, which includes AKT1, AKT2, and AKT3, known for their regulation through phosphorylation of a wide array of substrates.
Therapeutic significance:
AKT1's involvement in diseases like Breast cancer, Colorectal cancer, Proteus syndrome, and Cowden syndrome 6 highlights its critical role in cancer pathogenesis and other genetic disorders. Understanding the role of AKT1 could open doors to potential therapeutic strategies, especially in targeting cancer progression and genetic anomalies.