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 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.
Our top-notch dedicated system is used to design specialised 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9ULC6
UPID:
PADI1_HUMAN
Alternative names:
Peptidylarginine deiminase I; Protein-arginine deiminase type I
Alternative UPACC:
Q9ULC6; A1L4K6; Q70SX6
Background:
Protein-arginine deiminase type-1, also known as Peptidylarginine deiminase I, plays a crucial role in the post-translational modification of proteins by catalyzing the deimination of arginine residues. This enzymatic process is pivotal in the regulation of protein function and signaling pathways.
Therapeutic significance:
Understanding the role of Protein-arginine deiminase type-1 could open doors to potential therapeutic strategies. Its unique function in modifying protein arginine residues positions it as a key player in cellular processes, offering a novel target for drug discovery efforts aimed at modulating protein functions.