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 utilise our cutting-edge, exclusive workflow to develop focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of 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
Q8NB59

UPID:
SYT14_HUMAN

ALTERNATIVE NAMES:
Synaptotagmin XIV

ALTERNATIVE UPACC:
Q8NB59; B1AJU0; B1AJU1; F5H426; Q5THX7; Q707N3; Q707N4; Q707N5; Q707N6; Q707N7

BACKGROUND:
The protein Synaptotagmin-14, alternatively named Synaptotagmin XIV, is implicated in the Ca(2+)-independent trafficking and exocytosis of secretory vesicles. Its function is essential for the proper release of molecules in various tissues, underscoring its importance in cellular processes.

THERAPEUTIC SIGNIFICANCE:
Linked to the debilitating condition Spinocerebellar ataxia, autosomal recessive, 11 (SCAR11), Synaptotagmin-14's mutation underscores its critical role in neurodegenerative diseases. The exploration of Synaptotagmin-14's function and its genetic variants offers a promising avenue for developing targeted treatments for SCAR11.

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