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
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9NX57
UPID:
RAB20_HUMAN
Alternative names:
-
Alternative UPACC:
Q9NX57; Q5T9X5; Q9NX49
Background:
Ras-related protein Rab-20 is pivotal in cellular processes, including apical endocytosis/recycling, and the maturation and acidification of phagosomes that engulf pathogens like S.aureus and M.tuberculosis. It also facilitates the fusion of phagosomes with lysosomes, a critical step in the intracellular degradation of pathogens.
Therapeutic significance:
Understanding the role of Ras-related protein Rab-20 could open doors to potential therapeutic strategies, especially in enhancing the body's defense mechanisms against infectious diseases by targeting its function in phagosome maturation and acidification.