AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Sodium/bile acid cotransporter 7

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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. Our collaborator, Reaxense, aids in their synthesis and provision.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

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:

Sodium/bile acid cotransporter 7, also known as solute carrier family 10 member 7, plays a pivotal role in teeth and skeletal development. It is crucial for the biosynthesis and trafficking of glycosaminoglycans and glycoproteins, ensuring the proper functioning of the extracellular matrix. This protein is also essential for extracellular matrix mineralization and regulates cellular calcium homeostasis, although it does not transport bile acids or steroid sulfates.

Therapeutic significance:

The protein is linked to a rare autosomal recessive disorder characterized by short stature, defective tooth enamel formation, and skeletal dysplasia with scoliosis. Understanding the role of Sodium/bile acid cotransporter 7 could open doors to potential therapeutic strategies for this condition, highlighting its importance in medical research.

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