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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P16109
UPID:
LYAM3_HUMAN
Alternative names:
CD62 antigen-like family member P; Granule membrane protein 140; Leukocyte-endothelial cell adhesion molecule 3; Platelet activation dependent granule-external membrane protein
Alternative UPACC:
P16109; Q5R344; Q8IVD1
Background:
P-selectin, also known as CD62 antigen-like family member P, plays a crucial role in the inflammatory process. It functions as a Ca(2+)-dependent receptor for myeloid cells, binding to carbohydrates on neutrophils and monocytes. This interaction facilitates the rapid rolling of leukocytes over vascular surfaces, a key step in inflammation.
Therapeutic significance:
Given its involvement in ischemic stroke, a condition resulting from vascular occlusion leading to brain tissue death, P-selectin is a prime target for therapeutic intervention. Understanding the role of P-selectin could open doors to potential therapeutic strategies aimed at mitigating the effects of this debilitating disease.