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 our partner 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.
We use our state-of-the-art dedicated workflow for designing 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
P00915
UPID:
CAH1_HUMAN
Alternative names:
Carbonate dehydratase I; Carbonic anhydrase B; Carbonic anhydrase I; Cyanamide hydratase CA1
Alternative UPACC:
P00915
Background:
Carbonic anhydrase 1, known by alternative names such as Carbonate dehydratase I, Carbonic anhydrase B, and Cyanamide hydratase CA1, plays a crucial role in the reversible hydration of carbon dioxide. This enzyme's ability to efficiently convert carbon dioxide to bicarbonate and protons underpins its fundamental importance in physiological processes such as respiration and acid-base balance.
Therapeutic significance:
Understanding the role of Carbonic anhydrase 1 could open doors to potential therapeutic strategies. Its pivotal function in carbon dioxide hydration and conversion to bicarbonate highlights its potential as a target for treating conditions related to carbon dioxide and bicarbonate transport in the body.