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.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O76024
UPID:
WFS1_HUMAN
Alternative names:
-
Alternative UPACC:
O76024; B2R797; D3DVT1; Q8N6I3; Q9UNW6
Background:
Wolframin, encoded by the gene with accession number O76024, plays a crucial role in cellular calcium homeostasis and the endoplasmic reticulum stress response. It is instrumental in modulating the endoplasmic reticulum's calcium store and stabilizing V-ATPase subunits, thereby influencing various cellular processes.
Therapeutic significance:
Wolframin's dysfunction is linked to Wolfram syndrome 1, characterized by insulin-dependent diabetes and optic atrophy, among other symptoms. It is also associated with autosomal dominant deafness and cataract 41, highlighting its potential as a target for therapeutic intervention in these conditions.