AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Cyclin-dependent kinase 4 inhibitor C

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 our associate 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.

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

 Fig. 1. The sreening 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.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P42773

UPID:

CDN2C_HUMAN

Alternative names:

Cyclin-dependent kinase 6 inhibitor; p18-INK4c; p18-INK6

Alternative UPACC:

P42773; Q8TB83

Background:

Cyclin-dependent kinase 4 inhibitor C, also known as p18-INK4c or p18-INK6, plays a crucial role in cell cycle regulation. It interacts strongly with CDK6 and weakly with CDK4, inhibiting cell growth and proliferation. This inhibition is closely linked to the presence of the retinoblastoma protein RB, highlighting its significance in controlling the cell cycle.

Therapeutic significance:

Understanding the role of Cyclin-dependent kinase 4 inhibitor C could open doors to potential therapeutic strategies. Its ability to regulate cell growth and proliferation makes it a promising target for developing treatments for diseases characterized by uncontrolled cell division.

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