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
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P57735
UPID:
RAB25_HUMAN
Alternative names:
CATX-8
Alternative UPACC:
P57735; Q5VYA2; Q8NG24; Q96GB1; Q9BT12
Background:
Ras-related protein Rab-25, also known as CATX-8, plays a pivotal role in cell survival, migration, and epithelial morphogenesis. It is instrumental in localizing and maintaining integrin alpha-V/beta-1 at the tips of extending pseudopodia, crucial for invasive cell migration. Additionally, Rab-25 is involved in regulating epithelial morphogenesis by controlling the expression and localization of CLDN4 at tight junctions and may selectively regulate the apical recycling pathway. Its collaboration with MYO5B is essential for regulating transcytosis.
Therapeutic significance:
Understanding the role of Ras-related protein Rab-25 could open doors to potential therapeutic strategies.