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.
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 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q96NU7
UPID:
HUTI_HUMAN
Alternative names:
Amidohydrolase domain-containing protein 1
Alternative UPACC:
Q96NU7; A8K463; Q68CI8
Background:
Probable imidazolonepropionase, also known as Amidohydrolase domain-containing protein 1, plays a crucial role in the metabolism of certain amino acids. This enzyme is pivotal in the catalytic conversion processes, facilitating the breakdown of complex molecules into simpler forms that are essential for various bodily functions.
Therapeutic significance:
Understanding the role of Probable imidazolonepropionase could open doors to potential therapeutic strategies. Its involvement in amino acid metabolism suggests its potential impact on metabolic disorders, offering a promising avenue for research and development in drug discovery.