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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P52888
UPID:
THOP1_HUMAN
Alternative names:
Endopeptidase 24.15; MP78
Alternative UPACC:
P52888; B3KSE2; Q9UCB3
Background:
Thimet oligopeptidase, also known as Endopeptidase 24.15 or MP78, plays a crucial role in the metabolism of neuropeptides shorter than 20 amino acids. It is key in cytoplasmic peptide degradation, with the ability to process the amyloid-beta precursor protein into amyloidogenic fragments. This protein also regulates the cannabinoid signaling pathway by mediating the degradation of hemopressin.
Therapeutic significance:
Understanding the role of Thimet oligopeptidase could open doors to potential therapeutic strategies, particularly in neurodegenerative diseases where amyloid-beta fragments are implicated, and in disorders related to the cannabinoid system.