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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9NRW1
UPID:
RAB6B_HUMAN
Alternative names:
-
Alternative UPACC:
Q9NRW1; B2R5Z9; B7Z337; D3DND3; Q92929
Background:
Ras-related protein Rab-6B plays a pivotal role in intracellular membrane trafficking, regulating the movement of vesicular carriers and maintaining organelle identity. It cycles between active and inactive states, influencing Golgi complex morphology and participating in retrograde transport, especially in neuronal cells.
Therapeutic significance:
Understanding the role of Ras-related protein Rab-6B could open doors to potential therapeutic strategies.