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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
Our high-tech, dedicated method is applied to construct targeted 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8WWU7
UPID:
ITLN2_HUMAN
Alternative names:
Endothelial lectin HL-2
Alternative UPACC:
Q8WWU7; Q17RR2; Q5VYI0
Background:
Intelectin-2, also known as Endothelial lectin HL-2, is a protein that may play a crucial role in the body's defense system against pathogens. Its unique structure and function suggest it has a significant role in identifying and neutralizing foreign substances.
Therapeutic significance:
Understanding the role of Intelectin-2 could open doors to potential therapeutic strategies. Its involvement in the body's defense mechanisms makes it a promising target for developing treatments aimed at enhancing the immune response.