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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
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:
Carbonic anhydrase 6, known by alternative names such as Carbonate dehydratase VI, Carbonic anhydrase VI, Salivary carbonic anhydrase, and Secreted carbonic anhydrase, plays a crucial role in the reversible hydration of carbon dioxide. Although its specific function in saliva remains to be fully elucidated, its enzymatic activity is vital for maintaining acid-base balance in various tissues.
Therapeutic significance:
Understanding the role of Carbonic anhydrase 6 could open doors to potential therapeutic strategies. Its unique presence in saliva and its enzymatic function suggest a specialized role that, once understood, could offer novel approaches to managing diseases related to acid-base imbalances.