Focused On-demand Library for cAMP-dependent protein kinase catalytic subunit alpha

Focused On-demand Libraries - Receptor.AI 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.


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 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 top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
Receptor.AI
 
UPACC
P17612

UPID:
KAPCA_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P17612; Q32P54; Q9H2Y0; Q9NRB4; Q9NRH9

BACKGROUND:
cAMP-dependent protein kinase catalytic subunit alpha, a key enzyme in cellular signaling, orchestrates a broad spectrum of biological processes through the phosphorylation of numerous substrates. It is essential for the regulation of metabolic pathways, cellular differentiation, and development. The enzyme's activity influences critical pathways such as adipogenesis, osteogenesis, and the Hedgehog signaling pathway, which are vital for tissue development and homeostasis.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in diseases like Primary pigmented nodular adrenocortical disease 4 and Cardioacrofacial dysplasia 1, the cAMP-dependent protein kinase catalytic subunit alpha represents a promising target for drug discovery. Exploring the therapeutic potential of modulating this protein's activity could lead to innovative treatments for these genetic disorders.

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