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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9H223
UPID:
EHD4_HUMAN
Alternative names:
Hepatocellular carcinoma-associated protein 10/11; PAST homolog 4
Alternative UPACC:
Q9H223; Q9HAR1; Q9NZN2
Background:
EH domain-containing protein 4, also known as Hepatocellular carcinoma-associated protein 10/11 and PAST homolog 4, is a pivotal ATP- and membrane-binding protein. It plays a crucial role in controlling membrane reorganization and tubulation upon ATP hydrolysis, significantly impacting early endosomal transport.
Therapeutic significance:
Understanding the role of EH domain-containing protein 4 could open doors to potential therapeutic strategies.