Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
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.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9UL25
UPID:
RAB21_HUMAN
Alternative names:
-
Alternative UPACC:
Q9UL25; Q14466; Q569H3
Background:
Ras-related protein Rab-21 plays a pivotal role in membrane trafficking control, crucial for cellular processes such as cytokinesis, cell adhesion, and migration. It specifically regulates integrin internalization and recycling, impacting cell surface dynamics. Rab-21's involvement extends to neurite growth and autophagy, where it modulates SNARE protein VAMP8 for autophagosome-lysosome fusion and influences the Golgi localization of cargo receptors TMED2 and TMED10.
Therapeutic significance:
Understanding the role of Ras-related protein Rab-21 could open doors to potential therapeutic strategies, particularly in diseases where membrane trafficking, cell adhesion, and migration are disrupted.