Focused On-demand Library for Protein kinase C beta type

Focused On-demand Libraries - Reaxense Collaboration

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.

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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted 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 distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P05771

UPID:

KPCB_HUMAN

Alternative names:

Alternative UPACC:

P05771; C5IFJ8; D3DWF5; O43744; P05127; Q15138; Q93060; Q9UE49; Q9UE50; Q9UEH8; Q9UJ30; Q9UJ33

Background:

Protein kinase C beta type (PKC beta) is a crucial enzyme in cellular signaling, impacting processes from B-cell activation to insulin signaling. It regulates NF-kappa-B activation, oxidative stress-induced apoptosis, and endothelial cell proliferation. PKC beta's role in phosphorylating key substrates like CARD11 and BTK underscores its importance in signal transduction pathways.

Therapeutic significance:

Understanding the role of Protein kinase C beta type could open doors to potential therapeutic strategies. Its involvement in critical cellular functions suggests that modulating its activity could offer new avenues for treating diseases related to immune response, metabolic disorders, and cardiovascular health.