Focused On-demand Library for RAC-alpha serine/threonine-protein kinase

Focused On-demand Libraries - Reaxense Collaboration

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.