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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing focused 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
A6NFU8
UPID:
PGPIL_HUMAN
Alternative names:
-
Alternative UPACC:
A6NFU8; H0YF86
Background:
Pyroglutamyl-peptidase 1-like protein, encoded by the gene with accession number A6NFU8, plays a crucial role in protein metabolism. This enzyme is involved in the hydrolysis of pyroglutamyl residues from the N-terminus of peptides and proteins, a process essential for various cellular functions.
Therapeutic significance:
Understanding the role of Pyroglutamyl-peptidase 1-like protein could open doors to potential therapeutic strategies. Its involvement in protein metabolism suggests its potential impact on diseases related to protein aggregation and misfolding, making it a target of interest in drug discovery.