Focused On-demand Library for Protein kinase C gamma type

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.

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.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P05129

UPID:

KPCG_HUMAN

Alternative names:

Alternative UPACC:

P05129; B7Z8Q0

Background:

Protein kinase C gamma type (PKC gamma) is a calcium-activated, phospholipid- and diacylglycerol (DAG)-dependent serine/threonine-protein kinase. It plays pivotal roles in neuronal cells and eye tissues, including regulation of neuronal receptors, modulation of sensitivity to opiates, pain, alcohol, synaptic function, cell survival after ischemia, and inhibition of gap junction activity after oxidative stress.

Therapeutic significance:

PKC gamma's involvement in Spinocerebellar ataxia 14, a cerebellar disorder characterized by progressive incoordination and degeneration of the cerebellum, highlights its therapeutic potential. Understanding PKC gamma's role could open doors to novel therapeutic strategies for treating this and related neurological conditions.