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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q13636
UPID:
RAB31_HUMAN
Alternative names:
Ras-related protein Rab-22B
Alternative UPACC:
Q13636; B2RBT7; Q15770; Q9HC00
Background:
Ras-related protein Rab-31, also known as Rab-22B, is a pivotal regulator of intracellular membrane trafficking. It orchestrates the formation, movement, tethering, and fusion of transport vesicles with membranes. Rab-31 is essential for the Golgi apparatus and trans-Golgi network's integrity and function. It facilitates insulin-stimulated GLUT4 translocation, M6PR transport to endosomes, EGFR internalization, and phagosome maturation against pathogens like S.aureus and M.tuberculosis.
Therapeutic significance:
Understanding the role of Ras-related protein Rab-31 could open doors to potential therapeutic strategies.