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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted 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
Q13596
UPID:
SNX1_HUMAN
Alternative names:
-
Alternative UPACC:
Q13596; A6NM19; A8K6T7; H0Y2M5; O60750; O60751; Q6ZRJ8
Background:
Sorting nexin-1 plays a pivotal role in intracellular trafficking, interacting with specific phosphatidylinositol-containing membranes to mediate retrograde transport from endosomes to the trans-Golgi network. It is a key component of the SNX-BAR retromer complex, facilitating membrane deformation and cargo protein recycling. Its ability to sense membrane curvature and remodel vesicles underscores its critical function in cellular logistics, including the degradation of activated EGFR and the trafficking of lysosomal enzyme receptors.
Therapeutic significance:
Understanding the role of Sorting nexin-1 could open doors to potential therapeutic strategies. Its involvement in critical pathways of cellular trafficking and membrane remodeling presents a unique opportunity for targeting diseases with underlying defects in these processes.