Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 high-tech, dedicated method is applied to construct targeted 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9H4A9
UPID:
DPEP2_HUMAN
Alternative names:
-
Alternative UPACC:
Q9H4A9; A0A024R6Y5; B2RCF8; B3KS59; I3L248; Q6UX92; Q8TC95
Background:
Dipeptidase 2, encoded by the gene with accession number Q9H4A9, plays a crucial role in leukotriene metabolism by hydrolyzing leukotriene D4 (LTD4) into leukotriene E4 (LTE4), as reported in PubMed:32325220. Beyond its enzymatic activity, it serves as a regulator of the NF-kappaB inflammatory signaling pathway, influencing macrophage inflammatory responses.
Therapeutic significance:
Understanding the role of Dipeptidase 2 could open doors to potential therapeutic strategies. Its involvement in leukotriene metabolism and regulation of inflammatory responses highlights its potential as a target for treating inflammatory diseases.