Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.


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 for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


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
Receptor.AI
 
UPACC
P23280

UPID:
CAH6_HUMAN

ALTERNATIVE NAMES:
Carbonate dehydratase VI; Carbonic anhydrase VI; Salivary carbonic anhydrase; Secreted carbonic anhydrase

ALTERNATIVE UPACC:
P23280; E7EMQ1; Q5FBW3; Q5FC00; Q96QX8; Q9UF03

BACKGROUND:
The enzyme Carbonic anhydrase 6, also referred to as Salivary carbonic anhydrase or Secreted carbonic anhydrase, is instrumental in the reversible hydration of carbon dioxide. The significance of its activity in saliva is not yet clear, highlighting an area ripe for research. This enzyme is a member of the carbonic anhydrase family, known for their role in pH regulation and CO2 transport.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of Carbonic anhydrase 6 holds promise for uncovering new therapeutic avenues. Given its pivotal role in biochemical processes such as pH regulation, insights into its specific actions could lead to breakthroughs in treating disorders associated with carbon dioxide transport and acid-base homeostasis.

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