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.
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.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q15181
UPID:
IPYR_HUMAN
Alternative names:
Pyrophosphate phospho-hydrolase
Alternative UPACC:
Q15181; Q2M348; Q5SQT7; Q6P7P4; Q9UQJ5; Q9Y5B1
Background:
Inorganic pyrophosphatase, also known as Pyrophosphate phospho-hydrolase, plays a crucial role in cellular energy metabolism by catalyzing the hydrolysis of inorganic pyrophosphate to two phosphate ions. This reaction is vital for the synthesis of nucleic acids, proteins, and lipids, ensuring the proper balance of energy within the cell.
Therapeutic significance:
Understanding the role of Inorganic pyrophosphatase could open doors to potential therapeutic strategies. Its pivotal function in energy metabolism makes it a target for exploring treatments for metabolic disorders.