Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q8IZ41
UPID:
RASEF_HUMAN
Alternative names:
Ras-related protein Rab-45
Alternative UPACC:
Q8IZ41; A6NC29; Q96N04
Background:
The Ras and EF-hand domain-containing protein, also known as Ras-related protein Rab-45, plays a crucial role in cellular processes. It binds predominantly to GDP and GTP, indicating its involvement in signaling pathways. This protein acts as a dynein adapter, activating dynein-mediated transport and motility on microtubules, essential for cellular organization and dynamics.
Therapeutic significance:
Understanding the role of Ras and EF-hand domain-containing protein could open doors to potential therapeutic strategies.