Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 top-notch dedicated system is used to design specialised 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
Q9UID3
UPID:
VPS51_HUMAN
Alternative names:
Another new gene 2 protein; Protein fat-free homolog
Alternative UPACC:
Q9UID3; Q6PJV5; Q7L8A6; Q8WZ35; Q96DF4; Q96GR3
Background:
Vacuolar protein sorting-associated protein 51 homolog (VPS51) plays a crucial role in cellular processes, acting as a component of the GARP and EARP complexes. It is essential for retrograde transport from endosomes to the TGN, lysosome function, and endocytic recycling. VPS51 is also involved in the maintenance of protein retrieval and cholesterol traffic within cells.
Therapeutic significance:
VPS51's involvement in Pontocerebellar hypoplasia 13, characterized by severe neurological deficits, underscores its potential as a target for therapeutic intervention. Understanding the role of VPS51 could open doors to potential therapeutic strategies for this and related disorders.