Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P11117
UPID:
PPAL_HUMAN
Alternative names:
-
Alternative UPACC:
P11117; E9PCI1; Q561W5; Q9BTU7
Background:
Lysosomal acid phosphatase, encoded by the gene with the accession number P11117, plays a crucial role in the lysosomal degradation pathway. This enzyme is pivotal for the dephosphorylation processes, facilitating the breakdown of phosphomonoesters into inorganic phosphate and alcohol, a fundamental step in the cellular recycling mechanism.
Therapeutic significance:
Understanding the role of Lysosomal acid phosphatase could open doors to potential therapeutic strategies. Its critical function in cellular metabolism and recycling underscores its potential as a target for therapeutic intervention in diseases where these processes are disrupted.