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.
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.
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.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
P07359
UPID:
GP1BA_HUMAN
Alternative names:
Antigen CD42b-alpha
Alternative UPACC:
P07359; E7ES66; Q14441; Q16469; Q8N1F3; Q8NG39; Q9HDC7; Q9UEK1; Q9UQS4
Background:
The Platelet glycoprotein Ib alpha chain, also known as Antigen CD42b-alpha, plays a crucial role in hemostasis. It is a key component of the GP-Ib complex on platelet surfaces, essential for platelet adhesion by binding to von Willebrand factor (vWF) under high shear stress conditions. This interaction is pivotal for the formation of platelet plugs at sites of vascular injury.
Therapeutic significance:
Given its central role in platelet adhesion and thrombus formation, the Platelet glycoprotein Ib alpha chain is implicated in several coagulation disorders, including Non-arteritic anterior ischemic optic neuropathy, Bernard-Soulier syndrome, Bernard-Soulier syndrome A2, autosomal dominant, and Pseudo-von Willebrand disease. Targeting this protein could lead to innovative treatments for these conditions, highlighting its therapeutic significance.