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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q96CS7
UPID:
PKHB2_HUMAN
Alternative names:
Evectin-2
Alternative UPACC:
Q96CS7; B4DF08; B4DZ66; B8ZZN1; Q53FF1; Q53TH7; Q86W37; Q9BV75; Q9NWK1
Background:
Pleckstrin homology domain-containing family B member 2, also known as Evectin-2, plays a crucial role in the retrograde transport of recycling endosomes. This process is vital for the proper distribution and function of cellular components, ensuring that materials are returned from the endosome to the Golgi apparatus or to the plasma membrane efficiently.
Therapeutic significance:
Understanding the role of Pleckstrin homology domain-containing family B member 2 could open doors to potential therapeutic strategies. Its involvement in cellular transport mechanisms positions it as a key player in maintaining cellular homeostasis and function.