Focused On-demand Library for Serine/threonine-protein kinase PDIK1L

Details

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.


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 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
Q8N165

UPID:
PDK1L_HUMAN

ALTERNATIVE NAMES:
PDLIM1-interacting kinase 1-like

ALTERNATIVE UPACC:
Q8N165; B2R777; D3DPK2; Q5T2I0; Q8NDB3

BACKGROUND:
The Serine/threonine-protein kinase PDIK1L, known for its alternative name PDLIM1-interacting kinase 1-like, is a pivotal enzyme in the phosphorylation of serine and threonine amino acid residues. This activity is vital for the modulation of cellular signaling pathways, influencing key cellular outcomes such as proliferation, survival, and programmed cell death. The exploration of PDIK1L's specific functions and interactions offers valuable insights into its biological importance.

THERAPEUTIC SIGNIFICANCE:
The exploration of Serine/threonine-protein kinase PDIK1L's biological roles presents a promising avenue for the development of novel therapeutic approaches. Although its direct involvement in disease processes has not been conclusively identified, the enzyme's central role in modulating signaling pathways critical to cell function underscores its potential utility in designing interventions for diseases characterized by signaling dysregulation.

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