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. Our collaborator, Reaxense, aids in their synthesis and provision.
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 employ our advanced, specialised process to create 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 stands out due to several important features:
partner
Reaxense
upacc
Q9Y2D0
UPID:
CAH5B_HUMAN
Alternative names:
Carbonate dehydratase VB; Carbonic anhydrase VB
Alternative UPACC:
Q9Y2D0; A8K4T5
Background:
Carbonic anhydrase 5B, mitochondrial, also known as Carbonate dehydratase VB or Carbonic anhydrase VB, plays a crucial role in the reversible hydration of carbon dioxide within the mitochondria. This enzyme's activity is pivotal for maintaining acid-base balance in cells and facilitating CO2 transport.
Therapeutic significance:
Understanding the role of Carbonic anhydrase 5B, mitochondrial could open doors to potential therapeutic strategies. Its function in carbon dioxide metabolism and acid-base homeostasis positions it as a key target for research in metabolic disorders and respiratory conditions.