AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P51817

UPID:

PRKX_HUMAN

Alternative names:

Protein kinase PKX1

Alternative UPACC:

P51817

Background:

The cAMP-dependent protein kinase catalytic subunit PRKX, also known as Protein kinase PKX1, plays a pivotal role in cellular processes. It is a serine/threonine protein kinase that mediates cAMP signaling, crucial for cellular differentiation, epithelial morphogenesis, myeloid cell differentiation, nephrogenesis, and angiogenesis. It achieves its effects through phosphorylation of targets like CREB, SMAD6, and PKD1.

Therapeutic significance:

Understanding the role of cAMP-dependent protein kinase catalytic subunit PRKX could open doors to potential therapeutic strategies. Its involvement in key cellular processes suggests its potential as a target in treating diseases related to cellular differentiation and growth.

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