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.
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 utilise our cutting-edge, exclusive workflow to develop 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
Q99490
UPID:
AGAP2_HUMAN
Alternative names:
Centaurin-gamma-1; GTP-binding and GTPase-activating protein 2; Phosphatidylinositol 3-kinase enhancer
Alternative UPACC:
Q99490; A8K9F7; O00578; Q548E0; Q8IWU3
Background:
Arf-GAP with GTPase, ANK repeat and PH domain-containing protein 2, also known as Centaurin-gamma-1, plays a pivotal role in cellular processes. It acts as a GTPase-activating protein for ARF1 and ARF5, enhancing PI3 kinase activity, which is crucial in preventing neuronal apoptosis. This protein is involved in the coupling of metabotropic glutamate receptor 1 to PI3 kinase and mediates anti-apoptotic effects of NGF by activating nuclear PI3 kinase. Its isoform 2 is known for protecting cells from apoptosis by stimulating Akt and regulating protein trafficking in the endosomal system.
Therapeutic significance:
Understanding the role of Arf-GAP with GTPase, ANK repeat and PH domain-containing protein 2 could open doors to potential therapeutic strategies.