Focused On-demand Library for Protein kinase C delta type

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

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

Q05655

UPID:

KPCD_HUMAN

Alternative names:

Tyrosine-protein kinase PRKCD; nPKC-delta

Alternative UPACC:

Q05655; B0KZ81; B2R834; Q15144; Q86XJ6

Background:

Protein kinase C delta type (PRKCD) is a versatile kinase involved in a myriad of cellular processes, including cell death, survival, proliferation, and DNA damage response. It acts as a pro-apoptotic factor in DNA damage-induced apoptosis but serves as an anti-apoptotic agent in cytokine receptor-initiated cell death. PRKCD's role in cancer is dual, functioning in tumor suppression and in the survival of several cancers. It is essential for NADPH oxidase-mediated oxygen radical production and plays a critical role in B cell proliferation and tolerance induction.

Therapeutic significance:

Given its involvement in autoimmune lymphoproliferative syndrome 3 and its pivotal role in cell death, survival, and immune response, targeting PRKCD offers promising therapeutic avenues for treating autoimmune disorders and cancer. Understanding the role of PRKCD could open doors to potential therapeutic strategies.