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.


 

Fig. 1. The screening 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.


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
Q6ZMH5

UPID:
S39A5_HUMAN

ALTERNATIVE NAMES:
Solute carrier family 39 member 5; Zrt- and Irt-like protein 5

ALTERNATIVE UPACC:
Q6ZMH5; B2R808; Q8N6Y3

BACKGROUND:
The Zinc transporter ZIP5, identified for its pivotal functions in zinc and copper transport, is essential for maintaining metal ion balance in various tissues, including enterocytes and pancreatic cells. Its role extends to influencing the BMP/TGF-beta signaling pathway and contributing to the structural integrity of the eye's sclera. ZIP5's activity is crucial for insulin secretion and may influence metabolic processes through the regulation of key signaling axes.

THERAPEUTIC SIGNIFICANCE:
Given its association with Myopia 24, autosomal dominant, Zinc transporter ZIP5 represents a significant target for therapeutic intervention. Exploring ZIP5's functions further could lead to innovative treatments for eye disorders and metabolic diseases linked to zinc and copper dysregulation.

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