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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q6V1X1
UPID:
DPP8_HUMAN
Alternative names:
Dipeptidyl peptidase IV-related protein 1; Dipeptidyl peptidase VIII; Prolyl dipeptidase DPP8
Alternative UPACC:
Q6V1X1; Q7Z4C8; Q7Z4D3; Q7Z4E1; Q8IWG7; Q8NEM5; Q96JX1; Q9HBM2; Q9HBM3; Q9HBM4; Q9HBM5; Q9NXF4
Background:
Dipeptidyl peptidase 8 (DPP8), also known as Dipeptidyl peptidase IV-related protein 1 and Prolyl dipeptidase DPP8, plays a crucial role in protein metabolism. It specifically cleaves off N-terminal dipeptides from proteins with a Pro or Ala residue at position 2. DPP8 acts as a significant inhibitor of caspase-1-dependent pyroptosis in monocytes and macrophages by preventing the activation of NLRP1 and CARD8, thereby controlling inflammatory responses.
Therapeutic significance:
Understanding the role of Dipeptidyl peptidase 8 could open doors to potential therapeutic strategies, particularly in modulating immune responses and preventing inflammatory diseases.