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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q6DD88
UPID:
ATLA3_HUMAN
Alternative names:
-
Alternative UPACC:
Q6DD88; Q8N7W5; Q9H8Q5; Q9UFL1
Background:
Atlastin-3 plays a crucial role in the formation of the endoplasmic reticulum's tubular network by tethering membranes through trans-homooligomer formation and mediating homotypic fusion. Its involvement in endoplasmic reticulum biogenesis is vital for cellular function.
Therapeutic significance:
Atlastin-3's mutation is linked to Neuropathy, hereditary sensory, 1F, a disease affecting lower limbs' sensory nerves. Understanding Atlastin-3's role could lead to novel therapeutic strategies for this debilitating condition.