Focused On-demand Library for Cyclin-dependent kinase 12

Focused On-demand Libraries - Receptor.AI 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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.


Our high-tech, dedicated method is applied to construct targeted 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.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q9NYV4

UPID:
CDK12_HUMAN

ALTERNATIVE NAMES:
Cdc2-related kinase, arginine/serine-rich; Cell division cycle 2-related protein kinase 7; Cell division protein kinase 12

ALTERNATIVE UPACC:
Q9NYV4; A7E2B2; B4DYX4; B9EIQ6; O94978

BACKGROUND:
The enzyme Cyclin-dependent kinase 12, known alternatively as Cdc2-related kinase, arginine/serine-rich, plays a critical role in transcription regulation by phosphorylating RNA polymerase II. It is essential for the expression of DNA repair genes and genomic stability, targeting 'Ser-5' in CTD repeats. Its involvement extends to RNA splicing and MAP kinase activity regulation, potentially impacting estrogen inhibitor responses.

THERAPEUTIC SIGNIFICANCE:
Exploring Cyclin-dependent kinase 12's function offers a promising avenue for developing new therapeutic approaches, especially in targeting diseases where DNA repair and genomic stability are compromised.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


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