Focused On-demand Library for Serine/threonine-protein kinase 32C

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


Our top-notch dedicated system is used to design specialised 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
Q86UX6

UPID:
ST32C_HUMAN

ALTERNATIVE NAMES:
PKE; Yet another novel kinase 3

ALTERNATIVE UPACC:
Q86UX6; Q5T0Q5; Q86UE1

BACKGROUND:
The protein Serine/threonine-protein kinase 32C, also referred to as PKE or Yet another novel kinase 3, is a crucial component of the cellular machinery. It is involved in the phosphorylation of serine/threonine residues, a key post-translational modification that regulates various cellular activities. The protein's alternative names and its unique identifier, Q86UX6, highlight its significance in the scientific community.

THERAPEUTIC SIGNIFICANCE:
The exploration of Serine/threonine-protein kinase 32C's functions is a promising avenue for drug discovery. Although its direct involvement in diseases remains to be identified, the kinase's role in critical cellular processes positions it as a potential target for therapeutic intervention. The development of inhibitors or modulators for this kinase could offer new pathways for treating diseases with underlying cellular signaling issues.

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