Focused On-demand Library for Protein kinase C delta type

Focused On-demand Libraries - Receptor.AI 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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. 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 screening 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
Receptor.AI
 
UPACC
Q05655

UPID:
KPCD_HUMAN

ALTERNATIVE NAMES:
Tyrosine-protein kinase PRKCD; nPKC-delta

ALTERNATIVE UPACC:
Q05655; B0KZ81; B2R834; Q15144; Q86XJ6

BACKGROUND:
The Tyrosine-protein kinase PRKCD, also known as nPKC-delta, is a serine/threonine-protein kinase that toggles between promoting cell death and survival. It is implicated in DNA damage-induced apoptosis, cytokine receptor-mediated cell death, tumor suppression, and the survival of cancer cells. PRKCD is crucial for the production of oxygen radicals, regulation of B cell proliferation, and induction of B cell tolerance. It also influences cell cycle progression and is involved in antifungal immunity.

THERAPEUTIC SIGNIFICANCE:
PRKCD's involvement in autoimmune lymphoproliferative syndrome 3 and its significant functions in apoptosis, tumor suppression, and immune regulation highlight its potential as a target for therapeutic intervention in autoimmune diseases and cancer. The exploration of PRKCD's mechanisms offers a pathway to novel therapeutic strategies.

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