Focused On-demand Library for Extracellular serine/threonine protein kinase FAM20C

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.


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.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We employ our advanced, specialised process to create 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 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
Q8IXL6

UPID:
FA20C_HUMAN

ALTERNATIVE NAMES:
Dentin matrix protein 4; Golgi casein kinase; Golgi-enriched fraction casein kinase

ALTERNATIVE UPACC:
Q8IXL6; A4D2Q5; L8B5W8; Q5I0W9; Q7Z4I0; Q9NPT2

BACKGROUND:
The Extracellular serine/threonine protein kinase FAM20C, known for its roles as Dentin matrix protein 4, Golgi casein kinase, and Golgi-enriched fraction casein kinase, is a key player in the phosphorylation of extracellular proteins. It targets proteins within the Ser-x-Glu/pSer motif, significantly influencing biomineralization processes in bones and teeth. FAM20C's phosphorylation of P4HB under endoplasmic reticulum stress is critical for maintaining ER proteostasis and reducing cell death.

THERAPEUTIC SIGNIFICANCE:
Linked to Raine syndrome, a severe bone dysplasia, FAM20C's understanding could lead to innovative treatments for bone and mineralization disorders. Its role in ER stress responses also presents potential therapeutic avenues in diseases involving ER proteostasis.

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