Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 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
Q9NQW7
UPID:
XPP1_HUMAN
Alternative names:
Aminoacylproline aminopeptidase; Cytosolic aminopeptidase P; Soluble aminopeptidase P; X-Pro aminopeptidase 1; X-prolyl aminopeptidase 1, soluble
Alternative UPACC:
Q9NQW7; A8K071; G5E9Y2; G8JLB2; O15250; Q53EX6; Q8N3Q0; Q96D23
Background:
Xaa-Pro aminopeptidase 1, also known as Aminoacylproline aminopeptidase, plays a crucial role in protein metabolism by catalyzing the removal of penultimate prolyl residues from peptides. This enzyme is involved in the degradation of bradykinin, a process essential for regulating blood pressure and inflammation.
Therapeutic significance:
Understanding the role of Xaa-Pro aminopeptidase 1 could open doors to potential therapeutic strategies. Its involvement in peptide degradation pathways highlights its potential as a target for developing treatments for conditions related to blood pressure and inflammatory responses.