Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 our partner Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9ULX7
UPID:
CAH14_HUMAN
Alternative names:
Carbonate dehydratase XIV; Carbonic anhydrase XIV
Alternative UPACC:
Q9ULX7; Q5TB24; Q8NCF4
Background:
Carbonic anhydrase 14, known alternatively as Carbonate dehydratase XIV or Carbonic anhydrase XIV, plays a crucial role in the reversible hydration of carbon dioxide. This enzyme is pivotal in maintaining acid-base balance in biological systems, facilitating the efficient conversion of carbon dioxide and water into bicarbonate and protons.
Therapeutic significance:
Understanding the role of Carbonic anhydrase 14 could open doors to potential therapeutic strategies. Its fundamental role in physiological processes highlights its potential as a target for drug discovery, aiming to modulate its activity in disease states where acid-base balance is disrupted.