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.
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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P35219
UPID:
CAH8_HUMAN
Alternative names:
Carbonic anhydrase VIII
Alternative UPACC:
P35219; A8K0A5; B3KQZ7; Q32MY2
Background:
Carbonic anhydrase-related protein, also known as Carbonic anhydrase VIII, plays a unique role in biological systems despite lacking carbonic anhydrase catalytic activity. This protein's distinct function and structure set it apart in the carbonic anhydrase family.
Therapeutic significance:
Linked to Cerebellar ataxia, impaired intellectual development, and dysequilibrium syndrome 3, understanding Carbonic anhydrase-related protein's role could unveil new therapeutic strategies.