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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We utilise our cutting-edge, exclusive workflow to develop focused 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8TBE9
UPID:
NANP_HUMAN
Alternative names:
Haloacid dehalogenase-like hydrolase domain-containing protein 4; Neu5Ac-9-Pase
Alternative UPACC:
Q8TBE9; B3KP12; Q5JYN8; Q8TE97; Q9Y3N0
Background:
N-acylneuraminate-9-phosphatase, also known by its alternative names Haloacid dehalogenase-like hydrolase domain-containing protein 4 and Neu5Ac-9-Pase, plays a crucial role in the metabolism of sialic acids, which are key components of cell membranes and are involved in cellular communication and pathogen recognition. This protein's enzymatic activity is pivotal in the catabolism of sialic acids, facilitating their recycling within the cell.
Therapeutic significance:
Understanding the role of N-acylneuraminate-9-phosphatase could open doors to potential therapeutic strategies. Its involvement in the metabolism of sialic acids, crucial for cellular communication, suggests that modulating its activity could have implications for diseases where cell signaling is disrupted.