Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create 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 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.