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.
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 utilise our cutting-edge, exclusive workflow to develop 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.
Key features that set our library apart include:
partner
Reaxense
upacc
A6NMB1
UPID:
SIG16_HUMAN
Alternative names:
Siglec-P16
Alternative UPACC:
A6NMB1
Background:
Sialic acid-binding Ig-like lectin 16, also known as Siglec-P16, is a putative adhesion molecule. It plays a crucial role in mediating sialic-acid dependent binding to cells, indicating its significance in cellular communication and immune response mechanisms.
Therapeutic significance:
Understanding the role of Sialic acid-binding Ig-like lectin 16 could open doors to potential therapeutic strategies. Its involvement in cell adhesion processes suggests a promising avenue for research into novel drug targets.