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.
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.
We use our state-of-the-art dedicated workflow for designing 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
O95292
UPID:
VAPB_HUMAN
Alternative names:
-
Alternative UPACC:
O95292; A2A2F2; O95293; Q9P0H0
Background:
Vesicle-associated membrane protein-associated protein B/C plays a crucial role in cellular processes, mediating contact between the endoplasmic reticulum (ER) and late endosomes. It is pivotal in the unfolded protein response and calcium homeostasis regulation, impacting cell survival and function.
Therapeutic significance:
Linked to Amyotrophic lateral sclerosis 8 and Spinal muscular atrophy, proximal, adult, autosomal dominant, understanding its role could unveil new therapeutic strategies for these neurodegenerative disorders.