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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


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.


Our top-notch dedicated system is used to design specialised libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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
Q86UD5

UPID:
SL9B2_HUMAN

ALTERNATIVE NAMES:
Na(+)/H(+) exchanger NHA2; Na(+)/H(+) exchanger-like domain-containing protein 2; Sodium/hydrogen exchanger-like domain-containing protein 2; Solute carrier family 9 subfamily B member 2

ALTERNATIVE UPACC:
Q86UD5; B5ME52; Q6ZMD8; Q96D95

BACKGROUND:
Solute carrier family 9 subfamily B member 2, or SLC9B2, is integral for regulating intracellular environments, mediating Na(+)/Li(+) antiporter activity, especially in the kidney. It contributes significantly to renal tubular function, clathrin-mediated endocytosis in beta-cells, and is implicated in fertility through its role in sperm motility. The protein's function in osteoclast differentiation remains a subject of scientific inquiry.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of SLC9B2 offers a promising avenue for developing novel therapeutic interventions. Given its critical role in maintaining cellular homeostasis and involvement in insulin secretion, targeting SLC9B2 could lead to breakthroughs in the management of metabolic disorders and fertility issues.

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