Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


We utilise our cutting-edge, exclusive workflow to develop focused 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
Q0GE19

UPID:
NTCP7_HUMAN

ALTERNATIVE NAMES:
Na(+)/bile acid cotransporter 7; Solute carrier family 10 member 7

ALTERNATIVE UPACC:
Q0GE19; A7E2E6; A7MAX9; Q0VAP9; Q45NG1; Q45NG2; Q5H9S6; Q6P4E6; Q8IZ62; Q8NBP8; Q9H0M9

BACKGROUND:
The protein Sodium/bile acid cotransporter 7, alternatively named solute carrier family 10 member 7, is integral to the development of teeth and the skeletal system. It facilitates the production of a functional extracellular matrix through its role in the biosynthesis and trafficking of glycosaminoglycans and glycoproteins. Additionally, it is required for the mineralization of the extracellular matrix and plays a part in the regulation of cellular calcium levels, without showing activity towards bile acids or steroid sulfates.

THERAPEUTIC SIGNIFICANCE:
Associated with a genetic disorder causing short stature, amelogenesis imperfecta, and skeletal dysplasia with scoliosis, Sodium/bile acid cotransporter 7's study offers a promising avenue for therapeutic intervention. Its critical role in physiological processes underscores the potential for developing treatments targeting this protein.

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