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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.
Our top-notch dedicated system is used to design specialised 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P35218
UPID:
CAH5A_HUMAN
Alternative names:
Carbonate dehydratase VA; Carbonic anhydrase VA
Alternative UPACC:
P35218; B2RPF2
Background:
Carbonic anhydrase 5A, mitochondrial, also known as Carbonate dehydratase VA, plays a crucial role in the reversible conversion of carbon dioxide to bicarbonate/HCO3. This process is vital for the urea and Krebs cycles, supporting the formation of essential metabolites in intermediary metabolism.
Therapeutic significance:
Hyperammonemia due to carbonic anhydrase VA deficiency, a metabolic disorder characterized by infantile hyperammonemic encephalopathy, highlights the protein's critical role. Understanding the function of Carbonic anhydrase 5A could pave the way for innovative treatments for metabolic abnormalities.