Focused On-demand Library for Cyclin-dependent kinase 16

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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Receptor.AI
 
UPACC
Q00536

UPID:
CDK16_HUMAN

ALTERNATIVE NAMES:
Cell division protein kinase 16; PCTAIRE-motif protein kinase 1; Serine/threonine-protein kinase PCTAIRE-1

ALTERNATIVE UPACC:
Q00536; A8K280; B7Z7C8; J3KN74; J3KQP7

BACKGROUND:
Cyclin-dependent kinase 16 (CDK16), with alternative names such as Cell division protein kinase 16, PCTAIRE-motif protein kinase 1, and Serine/threonine-protein kinase PCTAIRE-1, is crucial for normal cellular functioning. It regulates growth hormone release, spermatogenesis, neuron differentiation, and insulin secretion, indicating its broad impact on health and disease. The kinase activity of CDK16, especially its role in phosphorylating NSF and CCNY, underscores its importance in cellular communication and transport.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Cyclin-dependent kinase 16 offers a promising avenue for developing novel therapeutic interventions.

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