Focused On-demand Library for Protein kinase C delta 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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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.

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

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.