Focused On-demand Library for Protein kinase C gamma type

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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 utilise our cutting-edge, exclusive workflow to develop focused 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.

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

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.