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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q14964
UPID:
RB39A_HUMAN
Alternative names:
-
Alternative UPACC:
Q14964; A8KAA4; Q8N6W2
Background:
Ras-related protein Rab-39A is pivotal in cellular processes, including phagosome maturation and acidification, vesicular trafficking, and phagosome-lysosome fusion. It negatively regulates LPS-induced autophagosome formation in macrophages and may contribute to neurite formation. Its role in pathogen engulfment, such as S.aureus and M.tuberculosis, underscores its importance in immune response.
Therapeutic significance:
Understanding the role of Ras-related protein Rab-39A could open doors to potential therapeutic strategies.