Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8NHH9
UPID:
ATLA2_HUMAN
Alternative names:
ADP-ribosylation factor-like protein 6-interacting protein 2
Alternative UPACC:
Q8NHH9; B7Z1X2; B7Z7X8; Q4ZG30; Q7Z630; Q8NHH8; Q9H5M7
Background:
Atlastin-2, also known as ADP-ribosylation factor-like protein 6-interacting protein 2, plays a crucial role in the formation of the endoplasmic reticulum's tubular network. It achieves this through GTPase tethering membranes, forming trans-homooligomers, and mediating homotypic fusion of endoplasmic reticulum membranes. This process is vital for maintaining the structural integrity and function of the endoplasmic reticulum.
Therapeutic significance:
Understanding the role of Atlastin-2 could open doors to potential therapeutic strategies. Its pivotal function in endoplasmic reticulum biogenesis suggests that modulation of its activity could have implications for diseases related to endoplasmic reticulum dysfunction.