Focused On-demand Library for Epidermal growth factor receptor kinase substrate 8

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.


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.


 

Fig. 1. The screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.


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
Q12929

UPID:
EPS8_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q12929; A6NMC3; A8K6W2; A8KA66; B4DX66; Q8N6J0

BACKGROUND:
The protein Epidermal growth factor receptor kinase substrate 8 is a key regulator of the actin cytoskeleton, facilitating cellular processes such as migration and invasion in cancer cells, and growth of axonal filopodia in neurons. It functions through forming complexes with other proteins, thereby controlling actin filament dynamics. Its involvement in stereocilia elongation and dendritic cell migration illustrates its critical role in cellular structure and signaling.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Epidermal growth factor receptor kinase substrate 8 could open doors to potential therapeutic strategies. Its direct link to Deafness, autosomal recessive, 102, and its significant role in actin cytoskeleton dynamics offer promising avenues for therapeutic intervention in hearing loss and cancer.

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