Focused On-demand Library for cAMP-dependent protein kinase catalytic subunit beta

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

P22694

UPID:

KAPCB_HUMAN

Alternative names:

Alternative UPACC:

P22694; B1APG4; B4DKB0; B4E2Q1; Q14VH1; Q59GC0; Q5BNE9; Q5BNF0; Q5BNF1; Q5BNF2; Q5BNF3; Q5CZ92; Q5T1K3; Q7Z3M1; Q8IYR5; Q8IZQ0; Q96B09

Background:

The cAMP-dependent protein kinase catalytic subunit beta plays a pivotal role in mediating cAMP-dependent signaling across various biological processes. This includes cell proliferation, differentiation, and regulation of microtubule dynamics, among others. Its activity is crucial for the phosphorylation of specific substrates that influence cellular mechanisms and ion flux.

Therapeutic significance:

Linked to Cardioacrofacial dysplasia 2, a disease characterized by dysmorphic facial features, cardiac defects, and limb anomalies, understanding the role of cAMP-dependent protein kinase catalytic subunit beta could open doors to potential therapeutic strategies.