Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
We utilise our cutting-edge, exclusive workflow to develop focused 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
O60493
UPID:
SNX3_HUMAN
Alternative names:
Protein SDP3
Alternative UPACC:
O60493; A8K0B1; E1P5E4; E1P5E5; O60718; Q4TT29; Q4TT31; Q5JXJ7; Q5JXJ8; Q96AP9; Q9C0J5; Q9NU45
Background:
Sorting nexin-3 (Protein SDP3) is a phosphoinositide-binding protein pivotal for multivesicular body formation, engaging with various phosphatidylinositols. It facilitates protein transport across cellular compartments, notably aiding the retromer cargo-selective subcomplex and the SNX3-retromer complex in endosome-to-TGN transport. Additionally, it enhances the stability and surface expression of ENAC subunits and plays a role in dendritic cell phagocytosis and iron homeostasis through endocytic recycling of the transferrin receptor.
Therapeutic significance:
Understanding the role of Sorting nexin-3 could open doors to potential therapeutic strategies.