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.
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 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.
We use our state-of-the-art dedicated workflow for designing 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
Q15036
UPID:
SNX17_HUMAN
Alternative names:
-
Alternative UPACC:
Q15036; B4DQM7; Q53HN7; Q6IAS3
Background:
Sorting nexin-17 plays a pivotal role in the endosomal recycling process, crucial for the regulation of numerous surface proteins such as integrins, signaling receptors, and channels. It specifically binds to NPxY sequences in the cytoplasmic tails of target cargos, facilitating their recycling to the cell surface and preventing lysosomal degradation. This protein is also essential for maintaining normal cell surface levels of key molecules like APP and LRP1, interacting with phosphatidylinositol 3-phosphate (PtdIns(3P)) containing membranes.
Therapeutic significance:
Understanding the role of Sorting nexin-17 could open doors to potential therapeutic strategies.