Focused On-demand Library for ATP-binding cassette sub-family C member 8

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.


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


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Receptor.AI
 
UPACC
Q09428

UPID:
ABCC8_HUMAN

ALTERNATIVE NAMES:
Sulfonylurea receptor 1

ALTERNATIVE UPACC:
Q09428; A6NMX8; E3UYX6; O75948; Q16583

BACKGROUND:
The ATP-binding cassette sub-family C member 8, known alternatively as Sulfonylurea receptor 1, is essential for the regulation of insulin release through its role in the beta-cell ATP-sensitive potassium channel (KATP). Its function is critical for the proper response to blood glucose levels.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of ATP-binding cassette sub-family C member 8 could open doors to potential therapeutic strategies. Its direct involvement in diseases such as Leucine-induced hypoglycemia, Hyperinsulinemic hypoglycemia, familial, 1, and various forms of neonatal diabetes mellitus highlights its significance in metabolic disorder management.

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